EVODEX.1-P3030 - Partial Reaction

SMIRKS

[H][C:2]([C:1]([H:21])([H:22])[H:23])([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:16])([H:17])[H:18])[H:19]>>[H]C([H])([H])[C:2]([C:1]([H:21])([H:22])[H:23])([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:16])([H:17])[H:18])[H:19]

Derived Operators

EVODEX.1-F94 - Elemental Balance

C	1
H	2

EVODEX.1-M22 - Mass Difference

14.01566

EVODEX.1-E677 - Reaction Operator E

[#6:60]-[#6:61](-[#6:62])(-[H:109])-[H]>>[#6](-[#6@@:61](-[#6:60])(-[#6:62])-[H:109])(-[H])(-[H])-[H]

EVODEX.1-C110 - Reaction Operator C

[H]-[#6:51]>>[H]-[#6](-[H])(-[H])-[#6@:51]

EVODEX.1-N346 - Reaction Operator N

[H]-[#6:51](-[#6:49])(-[#6:52])-[H:89]>>[H]-[#6](-[H])(-[H])-[#6@:51](-[#6:49])(-[#6:52])-[H:89]

EVODEX.1-Em443 - Reaction Operator Em

[H]-[#6:51](-[#6:49])-[#6:52]>>[H]-[#6](-[H])(-[H])-[#6:51](-[#6:49])-[#6:52]

EVODEX.1-Cm51 - Reaction Operator Cm

[H]-[#6:8]>>[#6]-[#6:8]

EVODEX.1-Nm396 - Reaction Operator Nm

[H]-[#6:51](-[#6:49])-[#6:52]>>[H]-[#6](-[H])(-[H])-[#6:51](-[#6:49])-[#6:52]

Source Full Reactions

EVODEX.1-R3714

[H][C:2]([C:1]([H:24])([H:25])[H:26])([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:19])([H:20])[H:21])[H:22].[C:9]([C:10]([C:11]([C@:12]([C:13]([H:27])([H:28])[H:29])([C@:14]([N:15]([H:30])[H:31])([C:16](=[O:17])[O:18][H:32])[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])([H:40])[H:41]>>[H][C:10]([C:11]([C@:12]([C:13]([H:27])([H:28])[H:29])([C@:14]([N:15]([H:30])[H:31])([C:16](=[O:17])[O:18][H:32])[H:33])[H:34])([H:35])[H:36])([H:37])[H:38].[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:19])([H:20])[H:21])([C:9]([H:39])([H:40])[H:41])[H:22])([H:24])([H:25])[H:26]

EVODEX.1-R3687

[H][C:2]([C:1]([H:21])([H:22])[H:23])([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:16])([H:17])[H:18])[H:19].[C:9]([C:10]([C@:11]([N:12]([H:24])[H:25])([C:13](=[O:14])[O:15][H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32]>>[H][C:10]([C@:11]([N:12]([H:24])[H:25])([C:13](=[O:14])[O:15][H:26])[H:27])([H:28])[H:29].[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:16])([H:17])[H:18])([C:9]([H:30])([H:31])[H:32])[H:19])([H:21])([H:22])[H:23]

EVODEX.1-R3701

[H][C:2]([C:1]([H:24])([H:25])[H:26])([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:19])([H:20])[H:21])[H:22].[C:9]([C:10]([C@:11]([C:12]([H:27])([H:28])[H:29])([C@@:13]([C:14]([H:30])([H:31])[H:32])([N:15]([H:33])[H:34])[C:16](=[O:17])[O:18][H:35])[H:36])([H:37])[H:38])([H:39])([H:40])[H:41]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:19])([H:20])[H:21])([C:14]([H:30])([H:31])[H:32])[H:22])([H:24])([H:25])[H:26].[H][C@@:13]([C@:11]([C:10]([C:9]([H:39])([H:40])[H:41])([H:37])[H:38])([C:12]([H:27])([H:28])[H:29])[H:36])([N:15]([H:33])[H:34])[C:16](=[O:17])[O:18][H:35]

EVODEX.1-R3721

[H][C:2]([C:1]([H:24])([H:25])[H:26])([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:19])([H:20])[H:21])[H:22].[C:9]([C:10]([C:11]([C@:12]([C:13]([H:27])([H:28])[H:29])([C@:14]([N:15]([H:30])[H:31])([C:16](=[O:17])[O:18][H:32])[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])([H:40])[H:41]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:19])([H:20])[H:21])([C:13]([H:27])([H:28])[H:29])[H:22])([H:24])([H:25])[H:26].[H][C:12]([C:11]([C:10]([C:9]([H:39])([H:40])[H:41])([H:37])[H:38])([H:35])[H:36])([C@:14]([N:15]([H:30])[H:31])([C:16](=[O:17])[O:18][H:32])[H:33])[H:34]

EVODEX.1-R3726

[H][C:2]([C:1]([H:26])([H:27])[H:28])([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:21])([H:22])[H:23])[H:24].[C:9]([C:10]([C:11]([C:12]([C:13]([C@:14]([C:15]([H:29])([H:30])[H:31])([C@:16]([N:17]([H:32])[H:33])([C:18](=[O:19])[O:20][H:34])[H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])([H:46])[H:47]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:21])([H:22])[H:23])([C:15]([H:29])([H:30])[H:31])[H:24])([H:26])([H:27])[H:28].[H][C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([H:45])([H:46])[H:47])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([C@:16]([N:17]([H:32])[H:33])([C:18](=[O:19])[O:20][H:34])[H:35])[H:36]

EVODEX.1-R3735

[H][C:11]([C:10]([H:23])([H:24])[H:25])([C:12]([C:13](=[O:14])[C:15](=[O:16])[O:17][H:18])([H:19])[H:20])[H:21].[C:1]([C:2]([C:3]([H:26])([H:27])[H:28])([C:4]([C@:5]([N:6]([H:29])[H:30])([C:7](=[O:8])[O:9][H:31])[H:32])([H:33])[H:34])[H:35])([H:36])([H:37])[H:38]>>[H][C:2]([C:3]([H:26])([H:27])[H:28])([C:4]([C@:5]([N:6]([H:29])[H:30])([C:7](=[O:8])[O:9][H:31])[H:32])([H:33])[H:34])[H:35].[C:1]([C:11]([C:10]([H:23])([H:24])[H:25])([C:12]([C:13](=[O:14])[C:15](=[O:16])[O:17][H:18])([H:19])[H:20])[H:21])([H:36])([H:37])[H:38]

EVODEX.1-R3741

[H][C:2]([C:1]([H:22])([H:23])[H:24])([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:17])([H:18])[H:19])[H:20].[C:9]([C:10]([C:11]([C@:12]([N:13]([H:25])[H:26])([C:14](=[O:15])[O:16][H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])([H:34])[H:35]>>[H][C:10]([C:11]([C@:12]([N:13]([H:25])[H:26])([C:14](=[O:15])[O:16][H:27])[H:28])([H:29])[H:30])([H:31])[H:32].[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:17])([H:18])[H:19])([C:9]([H:33])([H:34])[H:35])[H:20])([H:22])([H:23])[H:24]

EVODEX.1-R3709

[H][C:12]([C:11]([H:24])([H:25])[H:26])([C:13]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:19])([H:20])[H:21])[H:22].[C:1]([C:2]([C:3]([C:4]([H:27])([H:28])[H:29])([C:5]([H:30])([H:31])[H:32])[C@:6]([N:7]([H:33])[H:34])([C:8](=[O:9])[O:10][H:35])[H:36])([H:37])[H:38])([H:39])([H:40])[H:41]>>[H][C@@:3]([C:2]([C:1]([H:39])([H:40])[H:41])([H:37])[H:38])([C:5]([H:30])([H:31])[H:32])[C@:6]([N:7]([H:33])[H:34])([C:8](=[O:9])[O:10][H:35])[H:36].[C:4]([C:12]([C:11]([H:24])([H:25])[H:26])([C:13]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:19])([H:20])[H:21])[H:22])([H:27])([H:28])[H:29]

EVODEX.1-R3699

[H][C:12]([C:11]([H:24])([H:25])[H:26])([C:13]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:19])([H:20])[H:21])[H:22].[C:1]([C:2]([C:3]([C:4]([C:5]([H:27])([H:28])[H:29])([H:30])[H:31])([C@:6]([N:7]([H:32])[H:33])([C:8](=[O:9])[O:10][H:34])[H:35])[H:36])([H:37])[H:38])([H:39])([H:40])[H:41]>>[C:1]([C:12]([C:11]([H:24])([H:25])[H:26])([C:13]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:19])([H:20])[H:21])[H:22])([H:39])([H:40])[H:41].[H][C:2]([C@@:3]([C:4]([C:5]([H:27])([H:28])[H:29])([H:30])[H:31])([C@:6]([N:7]([H:32])[H:33])([C:8](=[O:9])[O:10][H:34])[H:35])[H:36])([H:37])[H:38]

EVODEX.1-R3712

[H][C:12]([C:11]([H:24])([H:25])[H:26])([C:13]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:19])([H:20])[H:21])[H:22].[C:1]([C:2]([C:3]([H:27])([H:28])[H:29])([C@:4]([C:5]([H:30])([H:31])[H:32])([C@:6]([N:7]([H:33])[H:34])([C:8](=[O:9])[O:10][H:35])[H:36])[H:37])[H:38])([H:39])([H:40])[H:41]>>[H][C:2]([C:3]([H:27])([H:28])[H:29])([C@:4]([C:5]([H:30])([H:31])[H:32])([C@:6]([N:7]([H:33])[H:34])([C:8](=[O:9])[O:10][H:35])[H:36])[H:37])[H:38].[C:1]([C:12]([C:11]([H:24])([H:25])[H:26])([C:13]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:19])([H:20])[H:21])[H:22])([H:39])([H:40])[H:41]

EVODEX.1-R3739

[C:1]([C:2]([C:3]([H:17])([H:18])[H:19])([C@:4]([N:5]([H:20])[H:21])([C:6](=[O:7])[O:8][H:22])[H:23])[H:24])([H:25])([H:26])[H:27].[H][C:10]([C:9]([H:33])([H:34])[H:35])([C:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][H:28])([H:29])[H:30])[H:31]>>[H][C:2]([C:3]([H:17])([H:18])[H:19])([C@:4]([N:5]([H:20])[H:21])([C:6](=[O:7])[O:8][H:22])[H:23])[H:24].[C:1]([C:10]([C:9]([H:33])([H:34])[H:35])([C:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][H:28])([H:29])[H:30])[H:31])([H:25])([H:26])[H:27]