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EVODEX.1-P3907

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F66 - Elemental Balance

C-2
O-2
H-4

EVODEX.1-M183 - Mass Difference

-60.02112

EVODEX.1-E611 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:9]-[#6:11](-[#8]-[#6](-[#6](-[H])(-[H])-[H])=[#8])(-[H:54])-[H:55].[#8:47](-[H:89])-[H]>>[#6:9]-[#6:11](-[#8:47]-[H:89])(-[H:54])-[H:55]

EVODEX.1-C171 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6@:11].[H]-[#8:28]>>[#8:28]-[#6@:11]

EVODEX.1-N1118 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6:16](-[#6:15])(-[H:25])-[H:26].[H]-[#8:21]-[H:58]>>[#6:15]-[#6:16](-[#8:21]-[H:58])(-[H:25])-[H:26]

EVODEX.1-Em69 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#8]-[#6:20]-[#6:19].[H]-[#8:50]>>[#6:19]-[#6:20]-[#8:50]

EVODEX.1-Cm6 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:7].[#8]-[#6:11]>>[#8:7]-[#6:11]

EVODEX.1-Nm83 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#8]-[#6:20]-[#6:19].[H]-[#8:50]>>[#6:19]-[#6:20]-[#8:50]

Source Full Reactions

EVODEX.1-R4763

Full Reaction Rendering

[C:1]([C:2]([C:3](=[C:4]([C:5](=[C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([O:15][C:16]([C:17]([H:20])([H:21])[H:22])=[O:18])([H:23])[H:24])([H:25])[H:26])([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:43])[H:44])([H:45])([H:46])[H:47].[H][O:19][H:48]>>[C:1]([C:2]([C:3](=[C:4]([C:5](=[C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([O:19][H:48])([H:23])[H:24])([H:25])[H:26])([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:43])[H:44])([H:45])([H:46])[H:47].[H][O:15][C:16]([C:17]([H:20])([H:21])[H:22])=[O:18]