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EVODEX.1-P2352

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:15][C:14]([C@@:13]1([H:70])[O:12][C@@:11]([O:10][C:9]2:[C:8]([H:65]):[C:7]3:[O:6]:[C:4](=[O:5]):[C:3]([H:64]):[C:2]([C:1]([H:79])([H:80])[H:81]):[C:24]:3:[C:23]([H:78]):[C:22]:2[H:77])([H:66])[C@:20]([O:21][H:75])([H:76])[C@:18]([O:19][H:73])([H:74])[C@@:16]1([O:17][H:71])[H:72])([H:68])[H:69].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C(N([H])[H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:46]1([H:86])[O:47][C@@:48]([C:49]([O:50][H:87])([H:88])[H:89])([H:90])[C@:51]([O:52][H:91])([H:92])[C@@:53]([O:54][H:93])([H:94])[C@@:55]1([O:56][H:95])[H:96]>>[C:1]([C:2]1:[C:3]([H:64]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:65]):[C:9]([O:10][C@@:11]3([H:66])[O:12][C@@:13]([C:14]([O:15][C@@:46]4([H:86])[O:47][C@@:48]([C:49]([O:50][H:87])([H:88])[H:89])([H:90])[C@:51]([O:52][H:91])([H:92])[C@@:53]([O:54][H:93])([H:94])[C@@:55]4([O:56][H:95])[H:96])([H:68])[H:69])([H:70])[C@:16]([O:17][H:71])([H:72])[C@@:18]([O:19][H:73])([H:74])[C@@:20]3([O:21][H:75])[H:76]):[C:22]([H:77]):[C:23]([H:78]):[C:24]:1:2)([H:79])([H:80])[H:81]

Derived Operators

EVODEX.1-F390 - Elemental Balance

P-2
O-11
C-10
N-5
H-15

EVODEX.1-M39 - Mass Difference

-443.02444999999994

EVODEX.1-E1192 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](-[#6]1:[#7]:[#6]2:[#6](:[#7]:[#6](-[H]):[#7]:2-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:22](-[H:66])(-[#8:23])-[#6@:31])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H])(-[H])-[H].[#6:42]-[#8:43]-[H]>>[#8:43](-[#6@:22](-[H:66])(-[#8:23])-[#6@:31])-[#6:42]

EVODEX.1-C1252 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:15].[#6@:20]-[#6@:18]-[#6@@:16]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:46]>>([#8:15]-[#6@@:46].[#6@:16]-[#6@@:18]-[#6@@:20])

EVODEX.1-N1560 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:15]-[#6:14]-[#6@@:13]-[#6@:16](-[#6@@:18](-[#6@@:20](-[#6@@:11])(-[#8:21])-[H:76])(-[#8:19])-[H:74])(-[#8:17])-[H:72].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:46](-[H:86])(-[#8:47])-[#6@@:55]>>[#6:14](-[#6@@:13]-[#6@:16](-[#8:17])(-[H:72])-[#6@@:18](-[#8:19])(-[H:74])-[#6@@:20](-[#6@@:11])(-[#8:21])-[H:76])-[#8:15]-[#6@@:46](-[H:86])(-[#8:47])-[#6@@:55]

EVODEX.1-Em13 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]

EVODEX.1-Cm6 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:7].[#8]-[#6:11]>>[#8:7]-[#6:11]

EVODEX.1-Nm17 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]

Source Full Reactions

EVODEX.1-R3077

Full Reaction Rendering

[H][O:15][C:14]([C@@:13]1([H:70])[O:12][C@@:11]([O:10][C:9]2:[C:8]([H:65]):[C:7]3:[O:6]:[C:4](=[O:5]):[C:3]([H:64]):[C:2]([C:1]([H:79])([H:80])[H:81]):[C:24]:3:[C:23]([H:78]):[C:22]:2[H:77])([H:66])[C@:20]([O:21][H:75])([H:76])[C@:18]([O:19][H:73])([H:74])[C@@:16]1([O:17][H:71])[H:72])([H:68])[H:69].[N:25]([C:26]1:[N:27]:[C:28]2:[C:29](:[N:30]:[C:31]([H:82]):[N:32]:2[C@:33]2([H:83])[O:34][C@@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:84])[O:41][P:42](=[O:43])([O:44][H:85])[O:45][C@@:46]3([H:86])[O:47][C@@:48]([C:49]([O:50][H:87])([H:88])[H:89])([H:90])[C@:51]([O:52][H:91])([H:92])[C@@:53]([O:54][H:93])([H:94])[C@@:55]3([O:56][H:95])[H:96])([H:97])[H:98])([H:99])[C@:57]([O:58][H:100])([H:101])[C@:59]2([O:60][H:102])[H:103]):[C:61](=[O:62]):[N:63]:1[H:104])([H:105])[H:106]>>[C:1]([C:2]1:[C:3]([H:64]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:65]):[C:9]([O:10][C@@:11]3([H:66])[O:12][C@@:13]([C:14]([O:15][C@@:46]4([H:86])[O:47][C@@:48]([C:49]([O:50][H:87])([H:88])[H:89])([H:90])[C@:51]([O:52][H:91])([H:92])[C@@:53]([O:54][H:93])([H:94])[C@@:55]4([O:56][H:95])[H:96])([H:68])[H:69])([H:70])[C@:16]([O:17][H:71])([H:72])[C@@:18]([O:19][H:73])([H:74])[C@@:20]3([O:21][H:75])[H:76]):[C:22]([H:77]):[C:23]([H:78]):[C:24]:1:2)([H:79])([H:80])[H:81].[H][O:45][P:42]([O:41][P:38]([O:37][C:36]([C@@:35]1([H:99])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([N:25]([H:105])[H:106]):[N:63]([H:104]):[C:61](=[O:62]):[C:29]:3:[N:30]:[C:31]:2[H:82])([H:83])[C@@:59]([O:60][H:102])([H:103])[C@@:57]1([O:58][H:100])[H:101])([H:97])[H:98])(=[O:39])[O:40][H:84])(=[O:43])[O:44][H:85]