EVODEX.1-P1475 - Partial Reaction

SMIRKS

[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:52][C:51]2:[C:50]([N:49]([H:118])[H:119]):[C:67]([C:68](=[O:69])[O:70][H:117]):[C:66]([H:116]):[C:65]([H:115]):[C:64]:2[H:114]):C([H]):C:1[H]>>[H][O:52][C:51]1:[C:50]([N:49]([H:118])[H:119]):[C:67]([C:68](=[O:69])[O:70][H:117]):[C:66]([H:116]):[C:65]([H:115]):[C:64]:1[H:114]

Derived Operators

EVODEX.1-F229 - Elemental Balance

O	-2
C	-9
H	-6

EVODEX.1-M291 - Mass Difference

-146.03678

EVODEX.1-E945 - Reaction Operator E

[#8]=[#6](-[#6](=[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])-[H])-[H])-[#8:13]-[#6:14]>>[#8:13](-[#6:14])-[H]

EVODEX.1-C281 - Reaction Operator C

[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:7]):[#6](-[H]):[#6]:1-[H]>>[H]-[#8:7]

EVODEX.1-N316 - Reaction Operator N

[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:7]-[#6:6]):[#6](-[H]):[#6]:1-[H]>>[H]-[#8:7]-[#6:6]

EVODEX.1-Em93 - Reaction Operator Em

[#6]=[#6]-[#6](=[#8])-[#8:10]-[#6:11]>>[H]-[#8:10]-[#6:11]

EVODEX.1-Cm8 - Reaction Operator Cm

[#6]-[#8:2]>>[H]-[#8:2]

EVODEX.1-Nm9 - Reaction Operator Nm

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

Source Full Reactions

EVODEX.1-R2007

[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:104])([H:105])[H:106])([C:3]([H:71])([H:72])[H:73])[C:4]([O:5][P:6](=[O:7])([O:8][H:74])[O:9][P:10](=[O:11])([O:12][H:75])[O:13][C:14]([C@@:15]1([H:76])[O:16][C@:17]([N:18]2:[C:19]([H:77]):[N:20]:[C:21]3:[C:22]([N:23]([H:78])[H:79]):[N:24]:[C:25]([H:80]):[N:26]:[C:27]:2:3)([H:81])[C@@:28]([O:29][H:82])([H:83])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:84])[O:35][H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([O:37][H:91])[H:103])=[O:39])[H:102])([H:100])[H:101])([H:98])[H:99])=[O:44])[H:97])([H:95])[H:96])([H:93])[H:94].[N:49]([C:50]1:[C:51]([O:52][C:53](=[O:54])[C:55](=[C:56]([C:57]2:[C:58]([H:107]):[C:59]([H:108]):[C:60]([O:61][H:109]):[C:62]([H:110]):[C:63]:2[H:111])[H:112])[H:113]):[C:64]([H:114]):[C:65]([H:115]):[C:66]([H:116]):[C:67]:1[C:68](=[O:69])[O:70][H:117])([H:118])[H:119]>>[C:1]([C:2]([C:3]([H:71])([H:72])[H:73])([C:4]([O:5][P:6](=[O:7])([O:8][H:74])[O:9][P:10](=[O:11])([O:12][H:75])[O:13][C:14]([C@@:15]1([H:76])[O:16][C@:17]([N:18]2:[C:19]([H:77]):[N:20]:[C:21]3:[C:22]([N:23]([H:78])[H:79]):[N:24]:[C:25]([H:80]):[N:26]:[C:27]:2:3)([H:81])[C@@:28]([O:29][H:82])([H:83])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:84])[O:35][H:85])[H:86])([H:87])[H:88])([H:89])[H:90])[C@@:36]([O:37][H:91])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:53](=[O:54])[C:55](=[C:56]([C:57]1:[C:58]([H:107]):[C:59]([H:108]):[C:60]([O:61][H:109]):[C:62]([H:110]):[C:63]:1[H:111])[H:112])[H:113])([H:93])[H:94])([H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])[H:102])[H:103])([H:104])([H:105])[H:106].[H][O:52][C:51]1:[C:50]([N:49]([H:118])[H:119]):[C:67]([C:68](=[O:69])[O:70][H:117]):[C:66]([H:116]):[C:65]([H:115]):[C:64]:1[H:114]