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EVODEX.1-P3346

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:7][C:6]1([H:54])[C@@:5]([N:4]([C:2]([C:1]([H:68])([H:69])[H:70])=[O:3])[H:67])([H:52])[C@:14]([O:15][C@:16]([C:17]([H:61])([H:62])[H:63])([C:18](=[O:19])[O:20][H:64])[H:65])([H:66])[C@@:12]([O:13][H:59])([H:60])[C@:9]([C:10]([O:11][H:55])([H:56])[H:57])([H:58])[O:8]1>>[H]OP(=O)(O[H])[O:7][C@:6]1([H:54])[C@@:5]([N:4]([C:2]([C:1]([H:68])([H:69])[H:70])=[O:3])[H:67])([H:52])[C@:14]([O:15][C@:16]([C:17]([H:61])([H:62])[H:63])([C:18](=[O:19])[O:20][H:64])[H:65])([H:66])[C@@:12]([O:13][H:59])([H:60])[C@:9]([C:10]([O:11][H:55])([H:56])[H:57])([H:58])[O:8]1

Derived Operators

EVODEX.1-F273 - Elemental Balance

P1
O3
H1

EVODEX.1-M13 - Mass Difference

79.96633

EVODEX.1-E1026 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:3]-[#6:4](-[#8:5]-[H])(-[H:45])-[#6@:6]>>[#8:3]-[#6@@:4](-[#8:5]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:45])-[#6@:6]

EVODEX.1-C178 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:101]-[#6@@:99]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:101]-[#6:99]

EVODEX.1-N569 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:5]-[#6:4](-[H:45])(-[#8:3])-[#6@@:6]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:5]-[#6@@:4](-[H:45])(-[#8:3])-[#6@@:6]

EVODEX.1-Em26 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:34]-[#6:33]>>[#8]-[#15](=[#8])(-[#8])-[#8:34]-[#6:33]

EVODEX.1-Cm15 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:27]>>[#15]-[#8:27]

EVODEX.1-Nm26 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:34]-[#6:33]>>[#8]-[#15](=[#8])(-[#8])-[#8:34]-[#6:33]

Source Full Reactions

EVODEX.1-R3994

Full Reaction Rendering

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