EVODEX.1-P5810

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([C:8]1:[C:9]([H:27]):[C:10]([H:28]):[C:11]([H:29]):[C:12]([H:30]):[C:13]:1[H:31])([H:32])[H:33])([N:14]([C:15](=[O:16])[H:34])[H:35])[H:36])[H:37])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([O:22][H:38])([H:39])[H:40])([C:23](=[O:24])[O:25][H:41])[H:42])[H:43])[H:44])([H:45])([H:46])[H:47].[H][O:26][H:48]>>[H][N:14]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:45])([H:46])[H:47])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([O:22][H:38])([H:39])[H:40])([C:23](=[O:24])[O:25][H:41])[H:42])[H:43])[H:44])[H:37])=[O:5])([C:7]([C:8]1:[C:9]([H:27]):[C:10]([H:28]):[C:11]([H:29]):[C:12]([H:30]):[C:13]:1[H:31])([H:32])[H:33])[H:36])[H:35].[C:15](=[O:16])([O:26][H:48])[H:34]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E103 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#7:5](-[#6:6](=[#8:7])-[H:9])-[H:10].[#8:8](-[H:20])-[H]>>[#6:4]-[#7:5](-[H:10])-[H].[#6:6](=[#8:7])(-[#8:8]-[H:20])-[H:9]

EVODEX.1-C609 - Reaction Operator C

Reaction Operator C SMIRKS

([#7:14]-[#6:15].[#6@:2]).[H]-[#8:26]>>([H]-[#7:14].[#6@@:2]).[#6:15]-[#8:26]

EVODEX.1-N1407 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:1]-[#6@:2](-[#7:3])(-[#6:17])-[H:44].[#7:14](-[#6@:6])(-[#6:15](=[#8:16])-[H:34])-[H:35]).[H]-[#8:26]-[H:48]>>([H]-[#7:14](-[#6@:6])-[H:35].[#7:3]-[#6@@:2](-[#6:1])(-[#6:17])-[H:44]).[#6:15](=[#8:16])(-[#8:26]-[H:48])-[H:34]

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-R6502

Full Reaction Rendering

[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([C:8]1:[C:9]([H:27]):[C:10]([H:28]):[C:11]([H:29]):[C:12]([H:30]):[C:13]:1[H:31])([H:32])[H:33])([N:14]([C:15](=[O:16])[H:34])[H:35])[H:36])[H:37])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([O:22][H:38])([H:39])[H:40])([C:23](=[O:24])[O:25][H:41])[H:42])[H:43])[H:44])([H:45])([H:46])[H:47].[H][O:26][H:48]>>[H][N:14]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:45])([H:46])[H:47])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([O:22][H:38])([H:39])[H:40])([C:23](=[O:24])[O:25][H:41])[H:42])[H:43])[H:44])[H:37])=[O:5])([C:7]([C:8]1:[C:9]([H:27]):[C:10]([H:28]):[C:11]([H:29]):[C:12]([H:30]):[C:13]:1[H:31])([H:32])[H:33])[H:36])[H:35].[C:15](=[O:16])([O:26][H:48])[H:34]