EVODEX Logo

EVODEX.1-P400

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:1]([O:2][C:3]1:[C:4]([H:37]):[C:5]2:[C:6](:[C:7]([H:38]):[C:8]:1[O:9][H:39])[C@:10]1([H:40])[C:11]([H:41])([H:42])[C:12]3:[C:13]([H:43]):[C:14]([H:44]):[C:15]([O:16][C:17]([H:45])([H:46])[H:47]):[C:18]([O:19][H:48]):[C:20]:3[C:21]([H:49])([H:50])[N:22]1[C:23]([H:51])([H:52])[C:24]2([H:53])[H:54])([H:55])[H:56].O=[O:35]>>[C:1](=[O:35])([H:55])[H:56].[H][O:2][C:3]1:[C:4]([H:37]):[C:5]2:[C:6](:[C:7]([H:38]):[C:8]:1[O:9][H:39])[C@:10]1([H:40])[C:11]([H:41])([H:42])[C:12]3:[C:13]([H:43]):[C:14]([H:44]):[C:15]([O:16][C:17]([H:45])([H:46])[H:47]):[C:18]([O:19][H:48]):[C:20]:3[C:21]([H:49])([H:50])[N:22]1[C:23]([H:51])([H:52])[C:24]2([H:53])[H:54]

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E441 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#8:2]-[#6:3])(-[H:72])(-[H:73])-[H].[#8]=[#8:60]>>[#6:1](=[#8:60])(-[H:72])-[H:73].[#8:2](-[#6:3])-[H]

EVODEX.1-C73 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1]-[#8:2].[#8:59]=[#8:60]>>[#6:1]=[#8:60].[H]-[#8:59]-[H].[H]-[#8:2]

EVODEX.1-N175 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#8:2]-[#6:3])(-[H:65])-[H:66].[#8]=[#8:60]>>[#6:1](=[#8:60])(-[H:65])-[H:66].[H]-[#8:2]-[#6:3]

EVODEX.1-Em257 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#8:2]-[#6:3].[#8]=[#8:60]>>[#6:1]=[#8:60].[H]-[#8:2]-[#6:3]

EVODEX.1-Cm90 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1]-[#8:2].[#8:59]=[#8:60]>>[#6:1]=[#8:60].[H]-[#8:59]-[H].[H]-[#8:2]

EVODEX.1-Nm255 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#8:2]-[#6:3].[#8]=[#8:60]>>[#6:1]=[#8:60].[H]-[#8:2]-[#6:3]

Source Full Reactions

EVODEX.1-R394

Full Reaction Rendering

[H][C:1]([O:2][C:3]1:[C:4]([H:37]):[C:5]2:[C:6](:[C:7]([H:38]):[C:8]:1[O:9][H:39])[C@:10]1([H:40])[C:11]([H:41])([H:42])[C:12]3:[C:13]([H:43]):[C:14]([H:44]):[C:15]([O:16][C:17]([H:45])([H:46])[H:47]):[C:18]([O:19][H:48]):[C:20]:3[C:21]([H:49])([H:50])[N:22]1[C:23]([H:51])([H:52])[C:24]2([H:53])[H:54])([H:55])[H:56].[H][O:34][C:32]([C:30]([C:29]([C:28]([C:26](=[O:25])[O:27][H:58])([H:62])[H:63])([H:60])[H:61])=[O:31])=[O:33].[O:35]=[O:36]>>[C:32](=[O:33])=[O:34].[C:1](=[O:35])([H:55])[H:56].[H][O:36][C:30]([C:29]([C:28]([C:26](=[O:25])[O:27][H:58])([H:62])[H:63])([H:60])[H:61])=[O:31].[H][O:2][C:3]1:[C:4]([H:37]):[C:5]2:[C:6](:[C:7]([H:38]):[C:8]:1[O:9][H:39])[C@:10]1([H:40])[C:11]([H:41])([H:42])[C:12]3:[C:13]([H:43]):[C:14]([H:44]):[C:15]([O:16][C:17]([H:45])([H:46])[H:47]):[C:18]([O:19][H:48]):[C:20]:3[C:21]([H:49])([H:50])[N:22]1[C:23]([H:51])([H:52])[C:24]2([H:53])[H:54]