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EVODEX.1-P3354

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:23][C:22]([C@:20]([C@:18]([C@:16]([C:15]([N:14]1:[C:13]2:[N:12]:[C:10](=[O:11]):[N:9]([H:60]):[C:7](=[O:8]):[C:6]2:[N:5]:[C:4]2:[C:3]([H:59]):[C:2]([C:1]([H:73])([H:74])[H:75]):[C:26]([I:27]):[C:25]([H:72]):[C:24]:2:1)([H:70])[H:71])([O:17][H:61])[H:69])([O:19][H:62])[H:68])([O:21][H:63])[H:67])([H:65])[H:66]>>[H]OP(=O)(O[H])[O:23][C:22]([C@:20]([C@:18]([C@:16]([C:15]([N:14]1:[C:13]2:[N:12]:[C:10](=[O:11]):[N:9]([H:60]):[C:7](=[O:8]):[C:6]2:[N:5]:[C:4]2:[C:3]([H:59]):[C:2]([C:1]([H:73])([H:74])[H:75]):[C:26]([I:27]):[C:25]([H:72]):[C:24]:2:1)([H:70])[H:71])([O:17][H:61])[H:69])([O:19][H:62])[H:68])([O:21][H:63])[H:67])([H:65])[H:66]

Derived Operators

EVODEX.1-F273 - Elemental Balance

P1
O3
H1

EVODEX.1-M13 - Mass Difference

79.96633

EVODEX.1-E1023 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:53]-[#8:55]-[H]>>[#6:53]-[#8:55]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]

EVODEX.1-C15 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:18]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:18]

EVODEX.1-N12 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:27]-[#6:26]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:27]-[#6:26]

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-R4009

Full Reaction Rendering

[H][O:23][C:22]([C@:20]([C@:18]([C@:16]([C:15]([N:14]1:[C:13]2:[N:12]:[C:10](=[O:11]):[N:9]([H:60]):[C:7](=[O:8]):[C:6]2:[N:5]:[C:4]2:[C:3]([H:59]):[C:2]([C:1]([H:73])([H:74])[H:75]):[C:26]([I:27]):[C:25]([H:72]):[C:24]:2:1)([H:70])[H:71])([O:17][H:61])[H:69])([O:19][H:62])[H:68])([O:21][H:63])[H:67])([H:65])[H:66].[N:28]([C:29]1:[N:30]:[C:31]([H:76]):[N:32]:[C:33]2:[C:34]:1:[N:35]:[C:36]([H:77]):[N:37]:2[C@:38]1([H:78])[O:39][C@@:40]([C:41]([O:42][P:43](=[O:44])([O:45][H:79])[O:46][P:47](=[O:48])([O:49][H:80])[O:50][P:51](=[O:52])([O:53][H:81])[O:54][H:82])([H:83])[H:84])([H:85])[C@:55]([O:56][H:86])([H:87])[C@:57]1([O:58][H:88])[H:89])([H:90])[H:91]>>[C:1]([C:2]1:[C:3]([H:59]):[C:4]2:[N:5]:[C:6]3:[C:7](=[O:8]):[N:9]([H:60]):[C:10](=[O:11]):[N:12]:[C:13]3:[N:14]([C:15]([C@:16]([O:17][H:61])([C@:18]([O:19][H:62])([C@:20]([O:21][H:63])([C:22]([O:23][P:51](=[O:52])([O:53][H:81])[O:54][H:82])([H:65])[H:66])[H:67])[H:68])[H:69])([H:70])[H:71]):[C:24]:2:[C:25]([H:72]):[C:26]:1[I:27])([H:73])([H:74])[H:75].[H][O:50][P:47]([O:46][P:43]([O:42][C:41]([C@@:40]1([H:85])[O:39][C@:38]([N:37]2:[C:33]3:[N:32]:[C:31]([H:76]):[N:30]:[C:29]([N:28]([H:90])[H:91]):[C:34]:3:[N:35]:[C:36]:2[H:77])([H:78])[C@@:57]([O:58][H:88])([H:89])[C@@:55]1([O:56][H:86])[H:87])([H:83])[H:84])(=[O:44])[O:45][H:79])(=[O:48])[O:49][H:80]