EVODEX.1-P1519 - Partial Reaction

SMIRKS

[H][N:61]([C:62]([C:63]([C:64]([N:65]([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])[H:116]>>[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[N:61]([C:62]([C:63]([C:64]([N:65]([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])[H:116]):C([H]):C:1O[H]

Derived Operators

EVODEX.1-F205 - Elemental Balance

C	9
O	3
H	6

EVODEX.1-M129 - Mass Difference

162.03168

EVODEX.1-E909 - Reaction Operator E

[#6:62]-[#7:63](-[H:112])-[H]>>[#6](=[#8])(-[#6](=[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[#8]-[H]):[#6]:1-[H])-[H])-[H])-[#7:63](-[#6:62])-[H:112]

EVODEX.1-C290 - Reaction Operator C

[H]-[#7:69]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#7:69]):[#6](-[H]):[#6]:1-[#8]-[H]

EVODEX.1-N329 - Reaction Operator N

[H]-[#7:69](-[#6:68])-[H:114]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#7:69](-[#6:68])-[H:114]):[#6](-[H]):[#6]:1-[#8]-[H]

EVODEX.1-Em59 - Reaction Operator Em

[H]-[#7:69]-[#6:68]>>[#6]=[#6]-[#6](=[#8])-[#7:69]-[#6:68]

EVODEX.1-Cm5 - Reaction Operator Cm

[H]-[#7:6]>>[#6]-[#7:6]

EVODEX.1-Nm4 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R2046

[C:1]([C:2]([C:3]([H:66])([H:67])[H:68])([C:4]([O:5][P:6](=[O:7])([O:8][H:69])[O:9][P:10](=[O:11])([O:12][H:70])[O:13][C:14]([C@@:15]1([H:71])[O:16][C@:17]([N:18]2:[C:19]([H:72]):[N:20]:[C:21]3:[C:22]([N:23]([H:73])[H:74]):[N:24]:[C:25]([H:75]):[N:26]:[C:27]:2:3)([H:76])[C@@:28]([O:29][H:77])([H:78])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:79])[O:35][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])[C@@:36]([O:37][H:86])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:49](=[O:50])[C:51](=[C:52]([C:53]1:[C:54]([H:87]):[C:55]([H:88]):[C:56]([O:57][H:89]):[C:58]([O:59][H:90]):[C:60]:1[H:91])[H:92])[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:107].[H][N:61]([C:62]([C:63]([C:64]([N:65]([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])[H:116]>>[C:49](=[O:50])([C:51](=[C:52]([C:53]1:[C:54]([H:87]):[C:55]([H:88]):[C:56]([O:57][H:89]):[C:58]([O:59][H:90]):[C:60]:1[H:91])[H:92])[H:93])[N:61]([C:62]([C:63]([C:64]([N:65]([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])[H:116].[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:105])([H:106])[H:107])([C:3]([H:66])([H:67])[H:68])[C:4]([O:5][P:6](=[O:7])([O:8][H:69])[O:9][P:10](=[O:11])([O:12][H:70])[O:13][C:14]([C@@:15]1([H:71])[O:16][C@:17]([N:18]2:[C:19]([H:72]):[N:20]:[C:21]3:[C:22]([N:23]([H:73])[H:74]):[N:24]:[C:25]([H:75]):[N:26]:[C:27]:2:3)([H:76])[C@@:28]([O:29][H:77])([H:78])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:79])[O:35][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([O:37][H:86])[H:104])=[O:39])[H:103])([H:101])[H:102])([H:99])[H:100])=[O:44])[H:98])([H:96])[H:97])([H:94])[H:95]