EVODEX.1-P5800

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E217 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#6:5](-[#7:6](-[#6:7](=[#8:8])-[H:36])-[H:37])(-[#6:9])-[H:57].[#8:35](-[H:65])-[H]>>[#6:4]-[#6@:5](-[#7:6](-[H:37])-[H])(-[#6:9])-[H:57].[#6:7](=[#8:8])(-[#8:35]-[H:65])-[H:36]

EVODEX.1-C77 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#7:6]-[#6:7].[H]-[#8:56]>>[H]-[#7:6]-[#6@:5].[#6:7]-[#8:56]

EVODEX.1-N94 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:4]-[#6:5](-[#7:6](-[#6:7](=[#8:8])-[H:57])-[H:58])(-[#6:9])-[H:100].[H]-[#8:56]-[H:108]>>[H]-[#7:6](-[#6@:5](-[#6:4])(-[#6:9])-[H:100])-[H:58].[#6:7](=[#8:8])(-[#8:56]-[H:108])-[H:57]

EVODEX.1-Em130 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:6]-[#7:14]-[#6:15]=[#8:16].[H]-[#8:26]>>[H]-[#7:14]-[#6:6].[#6:15](=[#8:16])-[#8:26]

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-Nm164 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:6]-[#7:14]-[#6:15]=[#8:16].[H]-[#8:26]>>[H]-[#7:14]-[#6:6].[#6:15](=[#8:16])-[#8:26]

Source Full Reactions

EVODEX.1-R6493

Full Reaction Rendering

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