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EVODEX.1-P495

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E408 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#16:4]-[#6:5]>>[#6:3]-[#16:4](-[#6:5])=[#8]

EVODEX.1-C211 - Reaction Operator C

Reaction Operator C SMIRKS

[#16:3]>>[#8]=[#16:3]

EVODEX.1-N186 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#16:3]-[#6:4]>>[#8]=[#16@@:3](-[#6:2])-[#6:4]

EVODEX.1-Em268 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:2]-[#16:3]-[#6:4]>>[#8]=[#16:3](-[#6:2])-[#6:4]

EVODEX.1-Cm189 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#16:3]>>[#8]=[#16:3]

EVODEX.1-Nm266 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:2]-[#16:3]-[#6:4]>>[#8]=[#16:3](-[#6:2])-[#6:4]

Source Full Reactions

EVODEX.1-R472

Full Reaction Rendering

[C:1]([C:2]1:[C:3]([H:66]):[C:4]([H:67]):[C:5]([S:6][C:7]2:[C:8]([H:68]):[C:9]([H:69]):[C:10]([C:11]([H:70])([H:71])[H:72]):[C:12]([H:73]):[C:13]:2[H:74]):[C:14]([H:75]):[C:15]:1[H:76])([H:77])([H:78])[H:79].[HH].[H][C:63]1([H:106])[C:19]([C:17]([N:16]([H:108])[H:109])=[O:18])=[C:20]([H:80])[N:21]([C@:22]2([H:81])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:82])[O:30][P:31](=[O:32])([O:33][H:83])[O:34][C:35]([C@@:36]3([H:84])[O:37][C@:38]([N:39]4:[C:40]([H:85]):[N:41]:[C:42]5:[C:43]([N:44]([H:86])[H:87]):[N:45]:[C:46]([H:88]):[N:47]:[C:48]:4:5)([H:89])[C@@:49]([O:50][P:51](=[O:52])([O:53][H:90])[O:54][H:91])([H:92])[C@@:55]3([O:56][H:93])[H:94])([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]([H:104])=[C:62]1[H:105].[O:64]=[O:65]>>[C:1]([C:2]1:[C:3]([H:66]):[C:4]([H:67]):[C:5]([S:6]([C:7]2:[C:8]([H:68]):[C:9]([H:69]):[C:10]([C:11]([H:70])([H:71])[H:72]):[C:12]([H:73]):[C:13]:2[H:74])=[O:65]):[C:14]([H:75]):[C:15]:1[H:76])([H:77])([H:78])[H:79].[N:16]([C:17](=[O:18])[C:19]1:[C:20]([H:80]):[N+:21]([C@:22]2([H:81])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:82])[O:30][P:31](=[O:32])([O:33][H:83])[O:34][C:35]([C@@:36]3([H:84])[O:37][C@:38]([N:39]4:[C:40]([H:85]):[N:41]:[C:42]5:[C:43]([N:44]([H:86])[H:87]):[N:45]:[C:46]([H:88]):[N:47]:[C:48]:4:5)([H:89])[C@@:49]([O:50][P:51](=[O:52])([O:53][H:90])[O:54][H:91])([H:92])[C@@:55]3([O:56][H:93])[H:94])([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]([H:104]):[C:62]([H:105]):[C:63]:1[H:106])([H:108])[H:109].[H][O:64][H]