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EVODEX.1-P3735

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:11][C:10]([C:9]1:[C:8]2:[C:3](:[C:2]([C:1]([H:66])([H:67])[H:68]):[C:21]3:[C:12]:1:[C:13]([H:60]):[C:14]([H:61]):[C:15]1:[C:16]([H:62]):[C:17]([H:63]):[C:18]([H:64]):[C:19]([H:65]):[C:20]:1:3):[C:4]([H:53]):[C:5]([H:54]):[C:6]([H:55]):[C:7]:2[H:56])([H:58])[H:59]>>[H]OS(=O)(=O)[O:11][C:10]([C:9]1:[C:8]2:[C:3](:[C:2]([C:1]([H:66])([H:67])[H:68]):[C:21]3:[C:12]:1:[C:13]([H:60]):[C:14]([H:61]):[C:15]1:[C:16]([H:62]):[C:17]([H:63]):[C:18]([H:64]):[C:19]([H:65]):[C:20]:1:3):[C:4]([H:53]):[C:5]([H:54]):[C:6]([H:55]):[C:7]:2[H:56])([H:58])[H:59]

Derived Operators

EVODEX.1-F286 - Elemental Balance

O3
S1

EVODEX.1-M143 - Mass Difference

79.9568

EVODEX.1-E1043 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#8:8]-[H]>>[#6:7]-[#8:8]-[#16](=[#8])(=[#8])-[#8]-[H]

EVODEX.1-C482 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:3]>>[H]-[#8]-[#16](=[#8])(=[#8])-[#8:3]

EVODEX.1-N592 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:3]-[#6:2]>>[H]-[#8]-[#16](=[#8])(=[#8])-[#8:3]-[#6:2]

EVODEX.1-Em568 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:3]-[#6:2]>>[#8]-[#16](=[#8])(=[#8])-[#8:3]-[#6:2]

EVODEX.1-Cm257 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:3]>>[#16]-[#8:3]

EVODEX.1-Nm514 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:3]-[#6:2]>>[#8]-[#16](=[#8])(=[#8])-[#8:3]-[#6:2]

Source Full Reactions

EVODEX.1-R4568

Full Reaction Rendering

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