EVODEX.1-P5695

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([C:8]([C:9]([N:10]([H:25])[H:26])=[O:11])([H:27])[H:28])([H:29])[H:30])([N:12]([C:13](=[O:14])[C@:15]1([H:31])[C:16]([H:32])([H:33])[C:17]([H:34])([H:35])[C:18](=[O:19])[N:20]1[H:36])[H:37])[H:38])[H:39])([C:21](=[O:22])[O:23][H:40])[H:41])([H:42])([H:43])[H:44].[H][O:24][H:45]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([C:8]([C:9](=[O:11])[O:24][H:45])([H:27])[H:28])([H:29])[H:30])([N:12]([C:13](=[O:14])[C@:15]1([H:31])[C:16]([H:32])([H:33])[C:17]([H:34])([H:35])[C:18](=[O:19])[N:20]1[H:36])[H:37])[H:38])[H:39])([C:21](=[O:22])[O:23][H:40])[H:41])([H:42])([H:43])[H:44].[H][N:10]([H:25])[H:26]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E98 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#6:7](-[#7:8](-[H:11])-[H:12])=[#8:9].[#8:10](-[H:21])-[H]>>[#6:6]-[#6:7](=[#8:9])-[#8:10]-[H:21].[#7:8](-[H:11])(-[H:12])-[H]

EVODEX.1-C12 - Reaction Operator C

Reaction Operator C SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-N723 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:8]-[#6:9](-[#7:10](-[H:25])-[H:26])=[#8:11].[H]-[#8:24]-[H:45]>>[#6:8]-[#6:9](=[#8:11])-[#8:24]-[H:45].[H]-[#7:10](-[H:25])-[H:26]

EVODEX.1-Em643 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:8]-[#6:9](-[#7:10])=[#8:11].[H]-[#8:24]>>[#6:8]-[#6:9](=[#8:11])-[#8:24].[H]-[#7:10]

EVODEX.1-Cm24 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-Nm578 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:8]-[#6:9](-[#7:10])=[#8:11].[H]-[#8:24]>>[#6:8]-[#6:9](=[#8:11])-[#8:24].[H]-[#7:10]

Source Full Reactions

EVODEX.1-R6407

Full Reaction Rendering

[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([C:8]([C:9]([N:10]([H:25])[H:26])=[O:11])([H:27])[H:28])([H:29])[H:30])([N:12]([C:13](=[O:14])[C@:15]1([H:31])[C:16]([H:32])([H:33])[C:17]([H:34])([H:35])[C:18](=[O:19])[N:20]1[H:36])[H:37])[H:38])[H:39])([C:21](=[O:22])[O:23][H:40])[H:41])([H:42])([H:43])[H:44].[H][O:24][H:45]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([C:8]([C:9](=[O:11])[O:24][H:45])([H:27])[H:28])([H:29])[H:30])([N:12]([C:13](=[O:14])[C@:15]1([H:31])[C:16]([H:32])([H:33])[C:17]([H:34])([H:35])[C:18](=[O:19])[N:20]1[H:36])[H:37])[H:38])[H:39])([C:21](=[O:22])[O:23][H:40])[H:41])([H:42])([H:43])[H:44].[H][N:10]([H:25])[H:26]