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EVODEX.1-P3939

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F102 - Elemental Balance

O-1
C-4
H-6

EVODEX.1-M232 - Mass Difference

-70.04188

EVODEX.1-E687 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](-[#6](-[#6](=[#8])-[#8:6]-[#6:7])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:6](-[#6:7])-[H]

EVODEX.1-C491 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N603 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:6]-[#6:7]>>[H]-[#8:6]-[#6:7]

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-R4791

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4](=[O:5])[O:6][C@@:7]1([H:35])[C:8]([H:36])([H:37])[C:9]([H:38])([H:39])[C@@:10]2([C:11]([H:40])([H:41])[H:42])[C:12](=[C:13]([H:43])[C:14]([H:44])([H:45])[C@@:15]3([H:46])[C@:16]4([H:47])[C:17]([H:48])([H:49])[C:18]([H:50])([H:51])[C@@:19]([C@:20]([C:21]([H:52])([H:53])[H:54])([C:22]([C:23]([C:24]([C:25]([C:26]([H:55])([H:56])[H:57])([C:27]([H:58])([H:59])[H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])[H:68])([H:69])[C@@:28]4([C:29]([H:70])([H:71])[H:72])[C:30]([H:73])([H:74])[C:31]([H:75])([H:76])[C@:32]23[H:77])[C:33]1([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])([H:85])[H:86].[H][O:34][H:87]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:34][H:87])([H:80])[H:81])([H:82])[H:83])([H:84])([H:85])[H:86].[H][O:6][C@@:7]1([H:35])[C:8]([H:36])([H:37])[C:9]([H:38])([H:39])[C@@:10]2([C:11]([H:40])([H:41])[H:42])[C:12](=[C:13]([H:43])[C:14]([H:44])([H:45])[C@@:15]3([H:46])[C@:16]4([H:47])[C:17]([H:48])([H:49])[C:18]([H:50])([H:51])[C@@:19]([C@:20]([C:21]([H:52])([H:53])[H:54])([C:22]([C:23]([C:24]([C:25]([C:26]([H:55])([H:56])[H:57])([C:27]([H:58])([H:59])[H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])[H:68])([H:69])[C@@:28]4([C:29]([H:70])([H:71])[H:72])[C:30]([H:73])([H:74])[C:31]([H:75])([H:76])[C@:32]23[H:77])[C:33]1([H:78])[H:79]