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EVODEX.1-P5802

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:27])[H:28])([C:9](=[O:10])[N:11]([C:12]([C:13]([C:14]1:[C:15]([H:29]):[N:16]([H:30]):[C:17]2:[C:18]([H:31]):[C:19]([H:32]):[C:20]([H:33]):[C:21]([H:34]):[C:22]:1:2)([H:35])[H:36])([C:23]([N:24]([H:37])[H:38])=[O:25])[H:39])[H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([H:48])([H:49])[H:50]>>[H][N:6]([C@@:5]([C:4]([C:3]([C:2]([C:1]([H:48])([H:49])[H:50])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([C:9](=[O:10])[N:11]([C:12]([C:13]([C:14]1:[C:15]([H:29]):[N:16]([H:30]):[C:17]2:[C:18]([H:31]):[C:19]([H:32]):[C:20]([H:33]):[C:21]([H:34]):[C:22]:1:2)([H:35])[H:36])([C:23]([N:24]([H:37])[H:38])=[O:25])[H:39])[H:40])[H:41])[H:28].[H]O[C:7](=[O:8])[H:27]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E384 - 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]>>[#6:4]-[#6@:5](-[#7:6](-[H:37])-[H])(-[#6:9])-[H:57].[#6:7](=[#8:8])(-[#8]-[H])-[H:36]

EVODEX.1-C69 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N86 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:4]-[#6@:5](-[#7:6](-[#6:7](=[#8:8])-[H:32])-[H:33])(-[#6:9])-[H:55]>>[H]-[#7:6](-[#6@@:5](-[#6:4])(-[#6:9])-[H:55])-[H:33].[H]-[#8]-[#6:7](=[#8:8])-[H:32]

EVODEX.1-Em129 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm18 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:4]-[#6:5]>>[H]-[#7:4].[#8]-[#6:5]

EVODEX.1-Nm163 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6495

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([N:6]([C:7](=[O:8])[H:27])[H:28])([C:9](=[O:10])[N:11]([C:12]([C:13]([C:14]1:[C:15]([H:29]):[N:16]([H:30]):[C:17]2:[C:18]([H:31]):[C:19]([H:32]):[C:20]([H:33]):[C:21]([H:34]):[C:22]:1:2)([H:35])[H:36])([C:23]([N:24]([H:37])[H:38])=[O:25])[H:39])[H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([H:48])([H:49])[H:50].[H][O:26][H:51]>>[H][N:6]([C@@:5]([C:4]([C:3]([C:2]([C:1]([H:48])([H:49])[H:50])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([C:9](=[O:10])[N:11]([C:12]([C:13]([C:14]1:[C:15]([H:29]):[N:16]([H:30]):[C:17]2:[C:18]([H:31]):[C:19]([H:32]):[C:20]([H:33]):[C:21]([H:34]):[C:22]:1:2)([H:35])[H:36])([C:23]([N:24]([H:37])[H:38])=[O:25])[H:39])[H:40])[H:41])[H:28].[C:7](=[O:8])([O:26][H:51])[H:27]