EVODEX.1-P3065

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:12]([C:13]([C@:14]([C:15]([H:21])([H:22])[H:23])([C@:16]([N:17]([H:24])[H:25])([C:18](=[O:19])[O:20][H:26])[H:27])[H:28])([H:29])[H:30])([H:31])[H:32].[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[C:9](=[O:10])[O:11][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:12]([C:13]([C@:14]([C:15]([H:21])([H:22])[H:23])([C@:16]([N:17]([H:24])[H:25])([C:18](=[O:19])[O:20][H:26])[H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:41])[H:42])([H:43])[H:44])([H:45])([H:46])[H:47].[H][C:4]([C:5]([C:6]([C:7](=[O:8])[C:9](=[O:10])[O:11][H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E164 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#6:2])(-[H:61])(-[H:62])-[H].[#6:53]-[#6:55](-[#6:56](-[#6:57])(-[H:86])-[H:87])(-[H:88])-[H:89]>>[#6:1](-[#6:2])(-[#6:56](-[#6:57])(-[H:86])-[H:87])(-[H:61])-[H:62].[#6:53]-[#6:55](-[H:88])(-[H:89])-[H]

EVODEX.1-C20 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:1]-[#6@@:2].[H]-[#6:61]>>[H]-[#6:2].[#6:1]-[#6@@:61]

EVODEX.1-N505 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#6@:2])(-[H:21])-[H:22].[#6:9]-[#6:10](-[#6:11](-[#6:12])(-[H:25])-[H:26])(-[H:27])-[H:28]>>[#6:1](-[#6@:2])(-[#6:10](-[#6:9])(-[H:27])-[H:28])(-[H:21])-[H:22].[H]-[#6:11](-[#6:12])(-[H:25])-[H:26]

EVODEX.1-Em535 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#6:2].[#6:9]-[#6:10]-[#6:11]-[#6:12]>>[#6:1](-[#6:2])-[#6:10]-[#6:9].[H]-[#6:11]-[#6:12]

EVODEX.1-Cm57 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:1]-[#6:2].[H]-[#6:61]>>[H]-[#6:2].[#6:1]-[#6:61]

EVODEX.1-Nm486 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#6:2].[#6:9]-[#6:10]-[#6:11]-[#6:12]>>[#6:1](-[#6:2])-[#6:10]-[#6:9].[H]-[#6:11]-[#6:12]

Source Full Reactions

EVODEX.1-R3727

Full Reaction Rendering

[H][C:12]([C:13]([C@:14]([C:15]([H:21])([H:22])[H:23])([C@:16]([N:17]([H:24])[H:25])([C:18](=[O:19])[O:20][H:26])[H:27])[H:28])([H:29])[H:30])([H:31])[H:32].[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[C:9](=[O:10])[O:11][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:12]([C:13]([C@:14]([C:15]([H:21])([H:22])[H:23])([C@:16]([N:17]([H:24])[H:25])([C:18](=[O:19])[O:20][H:26])[H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:41])[H:42])([H:43])[H:44])([H:45])([H:46])[H:47].[H][C:4]([C:5]([C:6]([C:7](=[O:8])[C:9](=[O:10])[O:11][H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40]