EVODEX.1-P3031 - Partial Reaction

SMIRKS

[H]C([H])([H])[C:2]([C:1]([H:30])([H:31])[H:32])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:26])([H:27])[H:28])[H:29]>>[H][C:2]([C:1]([H:30])([H:31])[H:32])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:26])([H:27])[H:28])[H:29]

Derived Operators

EVODEX.1-F93 - Elemental Balance

C	-1
H	-2

EVODEX.1-M40 - Mass Difference

-14.01566

EVODEX.1-E672 - Reaction Operator E

[#6](-[#6:2](-[#6:3])(-[#6:9])-[H:20])(-[H])(-[H])-[H]>>[#6:2](-[#6:3])(-[#6:9])(-[H:20])-[H]

EVODEX.1-C127 - Reaction Operator C

[H]-[#6](-[H])(-[H])-[#6@@:2]>>[H]-[#6:2]

EVODEX.1-N558 - Reaction Operator N

[H]-[#6](-[H])(-[H])-[#6@@:2](-[#6:3])(-[#6:7])-[H:103]>>[H]-[#6:2](-[#6:3])(-[#6:7])-[H:103]

EVODEX.1-Em549 - Reaction Operator Em

[H]-[#6](-[H])(-[H])-[#6:2](-[#6:3])-[#6:7]>>[H]-[#6:2](-[#6:3])-[#6:7]

EVODEX.1-Cm30 - Reaction Operator Cm

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

EVODEX.1-Nm496 - Reaction Operator Nm

[H]-[#6](-[H])(-[H])-[#6:2](-[#6:3])-[#6:7]>>[H]-[#6:2](-[#6:3])-[#6:7]

Source Full Reactions

EVODEX.1-R3700

[H][C:13]([C@@:12]([C:11]([C:10]([H:29])([H:30])[H:31])([H:27])[H:28])([C@:14]([N:15]([H:22])[H:23])([C:16](=[O:17])[O:18][H:24])[H:25])[H:26])([H:19])[H:20].[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:35])([H:36])[H:37])[H:38])([H:39])([H:40])[H:41]>>[H][C:2]([C:1]([H:39])([H:40])[H:41])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:35])([H:36])[H:37])[H:38].[C:3]([C:13]([C@:12]([C:11]([C:10]([H:29])([H:30])[H:31])([H:27])[H:28])([C@:14]([N:15]([H:22])[H:23])([C:16](=[O:17])[O:18][H:24])[H:25])[H:26])([H:19])[H:20])([H:32])([H:33])[H:34]

EVODEX.1-R3738

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

EVODEX.1-R3725

[H][C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])([C@:16]([N:17]([H:21])[H:22])([C:18](=[O:19])[O:20][H:23])[H:24])[H:25].[C:1]([C:2]([C:3]([H:38])([H:39])[H:40])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:41])([H:42])[H:43])[H:44])([H:45])([H:46])[H:47]>>[H][C:2]([C:3]([H:38])([H:39])[H:40])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:41])([H:42])[H:43])[H:44].[C:1]([C@@:15]([C:14]([C:13]([C:12]([C:11]([C:10]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])([C@:16]([N:17]([H:21])[H:22])([C:18](=[O:19])[O:20][H:23])[H:24])[H:25])([H:45])([H:46])[H:47]

EVODEX.1-R3742

[H][C:10]([C:11]([C@:12]([N:13]([H:17])[H:18])([C:14](=[O:15])[O:16][H:19])[H:20])([H:21])[H:22])([H:23])[H:24].[C:1]([C:2]([C:3]([H:26])([H:27])[H:28])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:29])([H:30])[H:31])[H:32])([H:33])([H:34])[H:35]>>[H][C:2]([C:3]([H:26])([H:27])[H:28])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:29])([H:30])[H:31])[H:32].[C:1]([C:10]([C:11]([C@:12]([N:13]([H:17])[H:18])([C:14](=[O:15])[O:16][H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:33])([H:34])[H:35]

EVODEX.1-R3688

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

EVODEX.1-R3710

[H][C:10]([C:11]([C@:12]([C:13]([H:19])([H:20])[H:21])([C@:14]([N:15]([H:22])[H:23])([C:16](=[O:17])[O:18][H:24])[H:25])[H:26])([H:27])[H:28])([H:29])[H:30].[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:35])([H:36])[H:37])[H:38])([H:39])([H:40])[H:41]>>[H][C:2]([C:1]([H:39])([H:40])[H:41])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:35])([H:36])[H:37])[H:38].[C:3]([C:10]([C:11]([C@:12]([C:13]([H:19])([H:20])[H:21])([C@:14]([N:15]([H:22])[H:23])([C:16](=[O:17])[O:18][H:24])[H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:32])([H:33])[H:34]

EVODEX.1-R3718

[H][C:13]([C:12]([C:11]([C:10]([H:29])([H:30])[H:31])([H:27])[H:28])([H:25])[H:26])([C@:14]([N:15]([H:19])[H:20])([C:16](=[O:17])[O:18][H:21])[H:22])[H:23].[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:35])([H:36])[H:37])[H:38])([H:39])([H:40])[H:41]>>[H][C:2]([C:3]([H:32])([H:33])[H:34])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:35])([H:36])[H:37])[H:38].[C:1]([C@@:13]([C:12]([C:11]([C:10]([H:29])([H:30])[H:31])([H:27])[H:28])([H:25])[H:26])([C@:14]([N:15]([H:19])[H:20])([C:16](=[O:17])[O:18][H:21])[H:22])[H:23])([H:39])([H:40])[H:41]

EVODEX.1-R3702

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

EVODEX.1-R3713

[H][C:11]([C:10]([H:29])([H:30])[H:31])([C@:12]([C:13]([H:19])([H:20])[H:21])([C@:14]([N:15]([H:22])[H:23])([C:16](=[O:17])[O:18][H:24])[H:25])[H:26])[H:27].[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:35])([H:36])[H:37])[H:38])([H:39])([H:40])[H:41]>>[H][C:2]([C:1]([H:39])([H:40])[H:41])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:35])([H:36])[H:37])[H:38].[C:3]([C:11]([C:10]([H:29])([H:30])[H:31])([C@:12]([C:13]([H:19])([H:20])[H:21])([C@:14]([N:15]([H:22])[H:23])([C:16](=[O:17])[O:18][H:24])[H:25])[H:26])[H:27])([H:32])([H:33])[H:34]

EVODEX.1-R3734

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

EVODEX.1-R3703

[H][C@@:12]([C:11]([C:10]([H:29])([H:30])[H:31])([H:27])[H:28])([C:13]([H:19])([H:20])[H:21])[C@:14]([N:15]([H:22])[H:23])([C:16](=[O:17])[O:18][H:24])[H:25].[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:35])([H:36])[H:37])[H:38])([H:39])([H:40])[H:41]>>[H][C:2]([C:1]([H:39])([H:40])[H:41])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:35])([H:36])[H:37])[H:38].[C:3]([C@:12]([C:11]([C:10]([H:29])([H:30])[H:31])([H:27])[H:28])([C:13]([H:19])([H:20])[H:21])[C@:14]([N:15]([H:22])[H:23])([C:16](=[O:17])[O:18][H:24])[H:25])([H:32])([H:33])[H:34]