EVODEX Logo

EVODEX.1-P484

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([O:2][P:3](=[S:4])([O:5][C:6]([H:67])([H:68])[H:69])[O:7][C:8]1:[C:9]([H:70]):[C:10]([H:71]):[C:11]([S:12][C:13]([H:72])([H:73])[H:74]):[C:14]([C:15]([H:75])([H:76])[H:77]):[C:16]:1[H:78])([H:79])([H:80])[H:81].[O:65]=[O:66]>>[C:1]([O:2][P:3](=[S:4])([O:5][C:6]([H:67])([H:68])[H:69])[O:7][C:8]1:[C:9]([H:70]):[C:10]([H:71]):[C:11]([S:12]([C:13]([H:72])([H:73])[H:74])=[O:66]):[C:14]([C:15]([H:75])([H:76])[H:77]):[C:16]:1[H:78])([H:79])([H:80])[H:81].[H][O:65][H]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E14 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#16:4]-[#6:5].[#8:59]=[#8:60]>>[#6:3]-[#16@@:4](-[#6:5])=[#8:60].[#8:59](-[H])-[H]

EVODEX.1-C79 - Reaction Operator C

Reaction Operator C SMIRKS

[#16:2]-[#8:5].[H]-[#8:16]>>[#16:2]-[#8:16].[H]-[#8:5]

EVODEX.1-N119 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:6]-[#16:7]-[#6:8].[#8:59]=[#8:60]>>[#6:6]-[#16:7](-[#6:8])=[#8:60].[H]-[#8:59]-[H]

EVODEX.1-Em198 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:6]-[#16:7]-[#6:8].[#8:59]=[#8:60]>>[#6:6]-[#16:7](-[#6:8])=[#8:60].[H]-[#8:59]-[H]

EVODEX.1-Cm64 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:11].[#8:40]-[#16:41]>>[#8:11]-[#16:41].[H]-[#8:40]

EVODEX.1-Nm198 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:6]-[#16:7]-[#6:8].[#8:59]=[#8:60]>>[#6:6]-[#16:7](-[#6:8])=[#8:60].[H]-[#8:59]-[H]

Source Full Reactions

EVODEX.1-R465

Full Reaction Rendering

[C:1]([O:2][P:3](=[S:4])([O:5][C:6]([H:67])([H:68])[H:69])[O:7][C:8]1:[C:9]([H:70]):[C:10]([H:71]):[C:11]([S:12][C:13]([H:72])([H:73])[H:74]):[C:14]([C:15]([H:75])([H:76])[H:77]):[C:16]:1[H:78])([H:79])([H:80])[H:81].[HH].[H][C:64]1([H:108])[C:20]([C:18]([N:17]([H:110])[H:111])=[O:19])=[C:21]([H:82])[N:22]([C@:23]2([H:83])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:84])[O:31][P:32](=[O:33])([O:34][H:85])[O:35][C:36]([C@@:37]3([H:86])[O:38][C@:39]([N:40]4:[C:41]([H:87]):[N:42]:[C:43]5:[C:44]([N:45]([H:88])[H:89]):[N:46]:[C:47]([H:90]):[N:48]:[C:49]:4:5)([H:91])[C@@:50]([O:51][P:52](=[O:53])([O:54][H:92])[O:55][H:93])([H:94])[C@@:56]3([O:57][H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])[C@:58]([O:59][H:102])([H:103])[C@:60]2([O:61][H:104])[H:105])[C:62]([H:106])=[C:63]1[H:107].[O:65]=[O:66]>>[C:1]([O:2][P:3](=[S:4])([O:5][C:6]([H:67])([H:68])[H:69])[O:7][C:8]1:[C:9]([H:70]):[C:10]([H:71]):[C:11]([S:12]([C:13]([H:72])([H:73])[H:74])=[O:66]):[C:14]([C:15]([H:75])([H:76])[H:77]):[C:16]:1[H:78])([H:79])([H:80])[H:81].[N:17]([C:18](=[O:19])[C:20]1:[C:21]([H:82]):[N+:22]([C@:23]2([H:83])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:84])[O:31][P:32](=[O:33])([O:34][H:85])[O:35][C:36]([C@@:37]3([H:86])[O:38][C@:39]([N:40]4:[C:41]([H:87]):[N:42]:[C:43]5:[C:44]([N:45]([H:88])[H:89]):[N:46]:[C:47]([H:90]):[N:48]:[C:49]:4:5)([H:91])[C@@:50]([O:51][P:52](=[O:53])([O:54][H:92])[O:55][H:93])([H:94])[C@@:56]3([O:57][H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])[C@:58]([O:59][H:102])([H:103])[C@:60]2([O:61][H:104])[H:105]):[C:62]([H:106]):[C:63]([H:107]):[C:64]:1[H:108])([H:110])[H:111].[H][O:65][H]