EVODEX.1-P5797

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

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-R6490

Full Reaction Rendering

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