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EVODEX.1-P1242

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([O:2][C:3]1:[C:4]([H:50]):[C:5]([H:51]):[C:6]([C:7]([C:8]2([H:52])[N:9]([H:53])[C:10]([H:54])([H:55])[C:11]([H:56])([H:57])[C:12]3:[C:13]([H:58]):[C:14]([O:15][H:59]):[C:16]([O:17][C:18]([H:60])([H:61])[H:62]):[C:19]([H:63]):[C:20]:32)([H:64])[H:65]):[C:21]([H:66]):[C:22]:1[O:23][H:67])([H:68])([H:69])[H:70]>>[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:18]([H:60])([H:61])[H:62].[H][O:17][C:16]1:[C:14]([O:15][H:59]):[C:13]([H:58]):[C:12]2:[C:20](:[C:19]:1[H:63])[C:8]([C:7]([C:6]1:[C:5]([H:51]):[C:4]([H:50]):[C:3]([O:2][C:1]([H:68])([H:69])[H:70]):[C:22]([O:23][H:67]):[C:21]:1[H:66])([H:64])[H:65])([H:52])[N:9]([H:53])[C:10]([H:54])([H:55])[C:11]2([H:56])[H:57]

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-R1272

Full Reaction Rendering

[C:1]([O:2][C:3]1:[C:4]([H:50]):[C:5]([H:51]):[C:6]([C:7]([C:8]2([H:52])[N:9]([H:53])[C:10]([H:54])([H:55])[C:11]([H:56])([H:57])[C:12]3:[C:13]([H:58]):[C:14]([O:15][H:59]):[C:16]([O:17][C:18]([H:60])([H:61])[H:62]):[C:19]([H:63]):[C:20]:32)([H:64])[H:65]):[C:21]([H:66]):[C:22]:1[O:23][H:67])([H:68])([H:69])[H:70].[HH].[N:24]([C:25]1:[N:26]:[C:27]([H:71]):[N:28]:[C:29]2:[C:30]:1:[N:31]:[C:32]([H:72]):[N:33]:2[C@:34]1([H:73])[O:35][C@@:36]([C:37]([S:38][C:39]([C:40]([C@:41]([N:42]([H:74])[H:75])([C:43](=[O:44])[O:45][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[C@:46]([O:47][H:85])([H:86])[C@:48]1([O:49][H:87])[H:88])([H:89])[H:90]>>[C:18]([S+:38]([C:37]([C@@:36]1([H:84])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:71]):[N:26]:[C:25]([N:24]([H:89])[H:90]):[C:30]:3:[N:31]:[C:32]:2[H:72])([H:73])[C@@:48]([O:49][H:87])([H:88])[C@@:46]1([O:47][H:85])[H:86])([H:82])[H:83])[C:39]([C:40]([C@:41]([N:42]([H:74])[H:75])([C:43](=[O:44])[O:45][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:60])([H:61])[H:62].[H][O:17][C:16]1:[C:14]([O:15][H:59]):[C:13]([H:58]):[C:12]2:[C:20](:[C:19]:1[H:63])[C:8]([C:7]([C:6]1:[C:5]([H:51]):[C:4]([H:50]):[C:3]([O:2][C:1]([H:68])([H:69])[H:70]):[C:22]([O:23][H:67]):[C:21]:1[H:66])([H:64])[H:65])([H:52])[N:9]([H:53])[C:10]([H:54])([H:55])[C:11]2([H:56])[H:57]