EVODEX.1-P2140

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:26]):[N:16]([H:27]):[C:17]2:[C:18]([H:28]):[C:19]([H:29]):[C:20]([H:30]):[C:21]([H:31]):[C:22]:1:2)([H:32])[H:33])([C:23](=[O:24])[O:25][H:34])[H:35])[H:36].[N:1]([C:2](=[O:3])[C:4]([C:5]([C@@:6]([N:7]([H:38])[H:39])([C:8](=[O:9])[O:10][H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47]>>[C:2](=[O:3])([C:4]([C:5]([C@@:6]([N:7]([H:38])[H:39])([C:8](=[O:9])[O:10][H:40])[H:41])([H:42])[H:43])([H:44])[H:45])[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:26]):[N:16]([H:27]):[C:17]2:[C:18]([H:28]):[C:19]([H:29]):[C:20]([H:30]):[C:21]([H:31]):[C:22]:1:2)([H:32])[H:33])([C:23](=[O:24])[O:25][H:34])[H:35])[H:36].[H][N:1]([H:46])[H:47]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E182 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:11](-[#6@@:12])(-[H:33])-[H].[#7:1](-[#6:2](=[#8:3])-[#6:4])(-[H:42])-[H:43]>>[#6:2](=[#8:3])(-[#6:4])-[#7:11](-[#6@@:12])-[H:33].[#7:1](-[H:42])(-[H:43])-[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-N427 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:11](-[#6@@:12])-[H:32].[#7:1](-[#6:2](=[#8:3])-[#6:4])(-[H:41])-[H:42]>>[#6:2](=[#8:3])(-[#6:4])-[#7:11](-[#6@@:12])-[H:32].[H]-[#7:1](-[H:41])-[H:42]

EVODEX.1-Em470 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:11]-[#6:12].[#7:1]-[#6:2](=[#8:3])-[#6:4]>>[#6:2](=[#8:3])(-[#6:4])-[#7:11]-[#6:12].[H]-[#7:1]

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-Nm421 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:11]-[#6:12].[#7:1]-[#6:2](=[#8:3])-[#6:4]>>[#6:2](=[#8:3])(-[#6:4])-[#7:11]-[#6:12].[H]-[#7:1]

Source Full Reactions

EVODEX.1-R2890

Full Reaction Rendering

[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:26]):[N:16]([H:27]):[C:17]2:[C:18]([H:28]):[C:19]([H:29]):[C:20]([H:30]):[C:21]([H:31]):[C:22]:1:2)([H:32])[H:33])([C:23](=[O:24])[O:25][H:34])[H:35])[H:36].[N:1]([C:2](=[O:3])[C:4]([C:5]([C@@:6]([N:7]([H:38])[H:39])([C:8](=[O:9])[O:10][H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47]>>[C:2](=[O:3])([C:4]([C:5]([C@@:6]([N:7]([H:38])[H:39])([C:8](=[O:9])[O:10][H:40])[H:41])([H:42])[H:43])([H:44])[H:45])[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:26]):[N:16]([H:27]):[C:17]2:[C:18]([H:28]):[C:19]([H:29]):[C:20]([H:30]):[C:21]([H:31]):[C:22]:1:2)([H:32])[H:33])([C:23](=[O:24])[O:25][H:34])[H:35])[H:36].[H][N:1]([H:46])[H:47]