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EVODEX.1-P7553

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E95 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#6:5](-[#8:6]-[#15:7])(-[H:57])-[H:58].([#15:42]-[#8:44]-[H].[#8:47]-[#6@@:46](-[#6@@:31])(-[H:74])-[#6@:48](-[#6@:29])(-[#8:49])-[H:76])>>([#6:4]-[#6:5](-[#8:44]-[#15:42])(-[H:57])-[H:58].[#8:49]-[#6@:48](-[#6@:29])(-[H:76])-[#6@@:46](-[#6@@:31])(-[#8:47])-[H:74]).[#8:6](-[#15:7])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N581 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:4]-[#6:5](-[#8:6]-[#15:7])(-[H:57])-[H:58].[H]-[#8:44]-[#15:42]>>[#6:4]-[#6:5](-[#8:44]-[#15:42])(-[H:57])-[H:58].[H]-[#8:6]-[#15:7]

EVODEX.1-Em564 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:4]-[#6:5]-[#8:6]-[#15:7].[H]-[#8:44]-[#15:42]>>[#6:4]-[#6:5]-[#8:44]-[#15:42].[H]-[#8:6]-[#15:7]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm510 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:4]-[#6:5]-[#8:6]-[#15:7].[H]-[#8:44]-[#15:42]>>[#6:4]-[#6:5]-[#8:44]-[#15:42].[H]-[#8:6]-[#15:7]

Source Full Reactions

EVODEX.1-R7959

Full Reaction Rendering

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