EVODEX.1-P5457

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E189 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:7](-[#6@:6](-[#6@:5])(-[H:32])-[#6:8])(-[H:30])-[H:31].[#7:15](-[#6:16])(-[H:46])-[H]>>[#7:15](-[#6@:6](-[#6@:5])(-[H:32])-[#6:8])(-[#6:16])-[H:46].[#7:7](-[H:30])(-[H:31])-[H]

EVODEX.1-C13 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#7:3].[H]-[#7:5]>>[#6:2]-[#7:5].[H]-[#7:3]

EVODEX.1-N423 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:7](-[#6@:6](-[#6@:5])(-[H:32])-[#6:8])(-[H:30])-[H:31].[H]-[#7:15](-[#6:16])-[H:46]>>[#7:15](-[#6@:6](-[#6@:5])(-[H:32])-[#6:8])(-[#6:16])-[H:46].[H]-[#7:7](-[H:30])-[H:31]

EVODEX.1-Em469 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6](-[#7:7])-[#6:8].[H]-[#7:15]-[#6:16]>>[#6:5]-[#6:6](-[#7:15]-[#6:16])-[#6:8].[H]-[#7:7]

EVODEX.1-Cm47 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#7:3].[H]-[#7:5]>>[#6:2]-[#7:5].[H]-[#7:3]

EVODEX.1-Nm420 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6](-[#7:7])-[#6:8].[H]-[#7:15]-[#6:16]>>[#6:5]-[#6:6](-[#7:15]-[#6:16])-[#6:8].[H]-[#7:7]

Source Full Reactions

EVODEX.1-R6202

Full Reaction Rendering

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