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EVODEX.1-P1252

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:3](=[C:2]([C:1]([H:103])([H:104])[H:105])[C:30]([F:31])([F:32])[H:102])[C:4]([C:5]([C@@:6]([C:7]([H:60])([H:61])[H:62])([C@@:8]1([H:63])[C:9]([H:64])([H:65])[C:10]([H:66])([H:67])[C@@:11]2([H:68])[C@:12]3([H:69])[C:13]([H:70])([H:71])[C:14]([H:72])([H:73])[C@@:15]4([H:74])[C:16]([C:17]([H:75])([H:76])[H:77])([C:18]([H:78])([H:79])[H:80])[C@:19]([O:20][H:81])([H:82])[C:21]([H:83])([H:84])[C:22]([H:85])([H:86])[C@@:23]45[C:24]([H:87])([H:88])[C@@:25]35[C:26]([H:89])([H:90])[C:27]([H:91])([H:92])[C@:28]12[C:29]([H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100]>>[H]C([H])=[C:3]([C:2]([H])([C:1]([H:103])([H:104])[H:105])[C:30]([F:31])([F:32])[H:102])[C:4]([C:5]([C@@:6]([C:7]([H:60])([H:61])[H:62])([C@@:8]1([H:63])[C:9]([H:64])([H:65])[C:10]([H:66])([H:67])[C@@:11]2([H:68])[C@:12]3([H:69])[C:13]([H:70])([H:71])[C:14]([H:72])([H:73])[C@@:15]4([H:74])[C:16]([C:17]([H:75])([H:76])[H:77])([C:18]([H:78])([H:79])[H:80])[C@:19]([O:20][H:81])([H:82])[C:21]([H:83])([H:84])[C:22]([H:85])([H:86])[C@@:23]45[C:24]([H:87])([H:88])[C@@:25]35[C:26]([H:89])([H:90])[C:27]([H:91])([H:92])[C@:28]12[C:29]([H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100]

Derived Operators

EVODEX.1-F94 - Elemental Balance

C1
H2

EVODEX.1-M22 - Mass Difference

14.01566

EVODEX.1-E678 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](-[#6:3])=[#6:4](-[#6:5])-[H]>>[#6:1]-[#6:2](-[#6:3])(-[#6:4](-[#6:5])=[#6](-[H])-[H])-[H]

EVODEX.1-C258 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:25]=[#6:26]>>[H]-[#6](-[H])=[#6:25]-[#6:26]-[H]

EVODEX.1-N277 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:25](-[#6:24])=[#6:26](-[#6:27])-[#6:28]>>[H]-[#6](-[H])=[#6:25](-[#6:24])-[#6:26](-[H])(-[#6:27])-[#6:28]

EVODEX.1-Em402 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:25](-[#6:24])=[#6:26](-[#6:27])-[#6:28]>>[H]-[#6](-[H])=[#6:25](-[#6:24])-[#6:26](-[H])(-[#6:27])-[#6:28]

EVODEX.1-Cm230 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:25]=[#6:26]>>[#6]=[#6:25]-[#6:26]-[H]

EVODEX.1-Nm362 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:25](-[#6:24])=[#6:26](-[#6:27])-[#6:28]>>[H]-[#6](-[H])=[#6:25](-[#6:24])-[#6:26](-[H])(-[#6:27])-[#6:28]

Source Full Reactions

EVODEX.1-R1318

Full Reaction Rendering

[H][C:3](=[C:2]([C:1]([H:103])([H:104])[H:105])[C:30]([F:31])([F:32])[H:102])[C:4]([C:5]([C@@:6]([C:7]([H:60])([H:61])[H:62])([C@@:8]1([H:63])[C:9]([H:64])([H:65])[C:10]([H:66])([H:67])[C@@:11]2([H:68])[C@:12]3([H:69])[C:13]([H:70])([H:71])[C:14]([H:72])([H:73])[C@@:15]4([H:74])[C:16]([C:17]([H:75])([H:76])[H:77])([C:18]([H:78])([H:79])[H:80])[C@:19]([O:20][H:81])([H:82])[C:21]([H:83])([H:84])[C:22]([H:85])([H:86])[C@@:23]45[C:24]([H:87])([H:88])[C@@:25]35[C:26]([H:89])([H:90])[C:27]([H:91])([H:92])[C@:28]12[C:29]([H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100].[H][C:33]([S+:34]([C:35]([C:36]([C@:37]([N:38]([H:106])[H:107])([C:39](=[O:40])[O:41][H:108])[H:109])([H:110])[H:111])([H:112])[H:113])[C:42]([C@@:43]1([H:114])[O:44][C@:45]([N:46]2:[C:47]([H:115]):[N:48]:[C:49]3:[C:50]([N:51]([H:116])[H:117]):[N:52]:[C:53]([H:118]):[N:54]:[C:55]:2:3)([H:119])[C@@:56]([O:57][H:120])([H:121])[C@@:58]1([O:59][H:122])[H:123])([H:124])[H:125])([H:126])[H:127]>>[H][C:2]([C:1]([H:103])([H:104])[H:105])([C:3]([C:4]([C:5]([C@@:6]([C:7]([H:60])([H:61])[H:62])([C@@:8]1([H:63])[C:9]([H:64])([H:65])[C:10]([H:66])([H:67])[C@@:11]2([H:68])[C@:12]3([H:69])[C:13]([H:70])([H:71])[C:14]([H:72])([H:73])[C@@:15]4([H:74])[C:16]([C:17]([H:75])([H:76])[H:77])([C:18]([H:78])([H:79])[H:80])[C@:19]([O:20][H:81])([H:82])[C:21]([H:83])([H:84])[C:22]([H:85])([H:86])[C@@:23]45[C:24]([H:87])([H:88])[C@@:25]35[C:26]([H:89])([H:90])[C:27]([H:91])([H:92])[C@:28]12[C:29]([H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100])=[C:33]([H:126])[H:127])[C:30]([F:31])([F:32])[H:102].[HH].[S:34]([C:35]([C:36]([C@:37]([N:38]([H:106])[H:107])([C:39](=[O:40])[O:41][H:108])[H:109])([H:110])[H:111])([H:112])[H:113])[C:42]([C@@:43]1([H:114])[O:44][C@:45]([N:46]2:[C:47]([H:115]):[N:48]:[C:49]3:[C:50]([N:51]([H:116])[H:117]):[N:52]:[C:53]([H:118]):[N:54]:[C:55]:2:3)([H:119])[C@@:56]([O:57][H:120])([H:121])[C@@:58]1([O:59][H:122])[H:123])([H:124])[H:125]