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EVODEX.1-P3989

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:10][C:11]([C:12]([C:13]([O:14][C@@:15]1([H:37])[O:16][C@@:17]([C:18]([O:19][H:38])([H:39])[H:40])([H:41])[C@@:20]([O:21][H:42])([H:43])[C@@:22]([O:23][H:44])([H:45])[C@:24]1([O:25][H:46])[H:47])([H:48])[H:49])([O:26][C:27](=[O:28])[C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])[H:65])([H:66])[H:67]>>[H][O:10][C:11]([C:12]([C:13]([O:14][C@@:15]1([H:37])[O:16][C@@:17]([C:18]([O:19][H:38])([H:39])[H:40])([H:41])[C@@:20]([O:21][H:42])([H:43])[C@@:22]([O:23][H:44])([H:45])[C@:24]1([O:25][H:46])[H:47])([H:48])[H:49])([O:26][C:27](=[O:28])[C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])[H:65])([H:66])[H:67]

Derived Operators

EVODEX.1-F8 - Elemental Balance

O-1
C-8
H-14

EVODEX.1-M92 - Mass Difference

-126.10452

EVODEX.1-E334 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:10]-[#6:11])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:10](-[#6:11])-[H]

EVODEX.1-C286 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:10]>>[H]-[#8:10]

EVODEX.1-N321 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:10]-[#6:11]>>[H]-[#8:10]-[#6:11]

EVODEX.1-Em10 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

EVODEX.1-Cm8 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#8:2]>>[H]-[#8:2]

EVODEX.1-Nm9 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

Source Full Reactions

EVODEX.1-R4837

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:10][C:11]([C:12]([C:13]([O:14][C@@:15]1([H:37])[O:16][C@@:17]([C:18]([O:19][H:38])([H:39])[H:40])([H:41])[C@@:20]([O:21][H:42])([H:43])[C@@:22]([O:23][H:44])([H:45])[C@:24]1([O:25][H:46])[H:47])([H:48])[H:49])([O:26][C:27](=[O:28])[C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])([H:81])[H:82].[H][O:36][H:83]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:36][H:83])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])([H:81])[H:82].[H][O:10][C:11]([C:12]([C:13]([O:14][C@@:15]1([H:37])[O:16][C@@:17]([C:18]([O:19][H:38])([H:39])[H:40])([H:41])[C@@:20]([O:21][H:42])([H:43])[C@@:22]([O:23][H:44])([H:45])[C@:24]1([O:25][H:46])[H:47])([H:48])[H:49])([O:26][C:27](=[O:28])[C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])[H:65])([H:66])[H:67]