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EVODEX.1-P1241

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([O:2][C:3]1:[C:4]([H:48]):[C:5]2:[C:6](:[C:7]([H:49]):[C:8]:1[O:9][H:50])[C@@:10]([C:11]([C:12]1:[C:13]([H:51]):[C:14]([H:52]):[C:15]([O:16][H:53]):[C:17]([H:54]):[C:18]:1[H:55])([H:56])[H:57])([H:58])[N:19]([H:59])[C:20]([H:60])([H:61])[C:21]2([H:62])[H:63])([H:64])([H:65])[H:66]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S+](C([H])([H])[C@@]1([H])O[C@@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)[C@]([H])(O[H])[C@]1([H])O[H])[C:1]([H:64])([H:65])[H:66].[H][O:2][C:3]1:[C:4]([H:48]):[C:5]2:[C:6](:[C:7]([H:49]):[C:8]:1[O:9][H:50])[C@@:10]([C:11]([C:12]1:[C:13]([H:51]):[C:14]([H:52]):[C:15]([O:16][H:53]):[C:17]([H:54]):[C:18]:1[H:55])([H:56])[H:57])([H:58])[N:19]([H:59])[C:20]([H:60])([H:61])[C:21]2([H:62])[H:63]

Derived Operators

EVODEX.1-F290 - Elemental Balance

O5
C14
S1
N6
H21

EVODEX.1-M316 - Mass Difference

385.12963

EVODEX.1-E1055 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#8:2]-[#6:3])(-[H:48])(-[H:49])-[H:50]>>[#6:1](-[#16](-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H:48])(-[H:49])-[H:50].[#8:2](-[#6:3])-[H]

EVODEX.1-C255 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:1]-[#8:2]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16](-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#6@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H])-[#6:1].[H]-[#8:2]

EVODEX.1-N274 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1](-[#8:2]-[#6:3])(-[H:48])(-[H:49])-[H:50]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16](-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#6@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H])-[#6:1](-[H:48])(-[H:49])-[H:50].[H]-[#8:2]-[#6:3]

EVODEX.1-Em399 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#8:2]-[#6:3]>>[#6]-[#16](-[#6])-[#6:1].[H]-[#8:2]-[#6:3]

EVODEX.1-Cm78 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:65]-[#8:66]>>[#16]-[#6:65].[H]-[#8:66]

EVODEX.1-Nm359 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#8:2]-[#6:3]>>[#6]-[#16](-[#6])-[#6:1].[H]-[#8:2]-[#6:3]

Source Full Reactions

EVODEX.1-R1269

Full Reaction Rendering

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