EVODEX.1-P1476 - Partial Reaction

SMIRKS

[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:60][C:61]2:[C:62]([H:111]):[C:63]([H:112]):[C:64]([H:113]):[C:65]([H:114]):[C:66]:2[O:67][H:115]):C([H]):C:1[H]>>[H][O:60][C:61]1:[C:62]([H:111]):[C:63]([H:112]):[C:64]([H:113]):[C:65]([H:114]):[C:66]:1[O:67][H:115]

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-R2008

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