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EVODEX.1-P5013

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:3]=[C:4]([O:5][H:35])[C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[O:12][C:13]([C:14]1:[C:15]([H:36]):[C:16]([H:37]):[C:17]([H:38]):[C:18]([H:39]):[C:19]:1[H:40])([H:41])[H:42])[H:43])([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25](=[O:26])[O:27][H:44])([H:45])[H:46])([C:28](=[O:29])[O:30][H:47])[H:48])[H:49])[H:50])([H:51])[H:52])([H:53])[H:54]>>[H]C([H])([H])O[C:20]([C@:8]([C:7]([C:6]([C:4](=[O:3])[O:5][H:35])([H:53])[H:54])([H:51])[H:52])([N:9]([C:10](=[O:11])[O:12][C:13]([C:14]1:[C:15]([H:36]):[C:16]([H:37]):[C:17]([H:38]):[C:18]([H:39]):[C:19]:1[H:40])([H:41])[H:42])[H:43])[H:50])=[O:21].[H][N:22]([C@@:23]([C:24]([C:25](=[O:26])[O:27][H:44])([H:45])[H:46])([C:28](=[O:29])[O:30][H:47])[H:48])[H:49]

Derived Operators

EVODEX.1-F348 - Elemental Balance

O1
C1
H4

EVODEX.1-M353 - Mass Difference

32.02622

EVODEX.1-E1138 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#7:3](-[#6:4](=[#8:5])-[#6:6])-[H:20]>>[#6:4](=[#8:5])(-[#6:6])-[#8]-[#6](-[H])(-[H])-[H].[#6:2]-[#7:3](-[H:20])-[H]

EVODEX.1-C914 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:4]-[#7:12]>>[H]-[#6](-[H])(-[H])-[#8]-[#6:4].[H]-[#7:12]

EVODEX.1-N1144 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:3]=[#6:4](-[#6:5])-[#7:12](-[#6@@:13])-[H:44]>>[H]-[#6](-[H])(-[H])-[#8]-[#6:4](=[#8:3])-[#6:5].[H]-[#7:12](-[#6@@:13])-[H:44]

EVODEX.1-Em70 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:3]=[#6:4](-[#6:5])-[#7:12]-[#6:13]>>[#6]-[#8]-[#6:4](=[#8:3])-[#6:5].[H]-[#7:12]-[#6:13]

EVODEX.1-Cm18 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm84 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:3]=[#6:4](-[#6:5])-[#7:12]-[#6:13]>>[#6]-[#8]-[#6:4](=[#8:3])-[#6:5].[H]-[#7:12]-[#6:13]

Source Full Reactions

EVODEX.1-R5794

Full Reaction Rendering

[H][O:2][C:1]([H:32])([H:33])[H:34].[O:3]=[C:4]([O:5][H:35])[C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[O:12][C:13]([C:14]1:[C:15]([H:36]):[C:16]([H:37]):[C:17]([H:38]):[C:18]([H:39]):[C:19]:1[H:40])([H:41])[H:42])[H:43])([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25](=[O:26])[O:27][H:44])([H:45])[H:46])([C:28](=[O:29])[O:30][H:47])[H:48])[H:49])[H:50])([H:51])[H:52])([H:53])[H:54]>>[C:1]([O:2][C:20]([C@:8]([C:7]([C:6]([C:4](=[O:3])[O:5][H:35])([H:53])[H:54])([H:51])[H:52])([N:9]([C:10](=[O:11])[O:12][C:13]([C:14]1:[C:15]([H:36]):[C:16]([H:37]):[C:17]([H:38]):[C:18]([H:39]):[C:19]:1[H:40])([H:41])[H:42])[H:43])[H:50])=[O:21])([H:32])([H:33])[H:34].[H][N:22]([C@@:23]([C:24]([C:25](=[O:26])[O:27][H:44])([H:45])[H:46])([C:28](=[O:29])[O:30][H:47])[H:48])[H:49]