EVODEX.1-P2411 - Partial Reaction

SMIRKS

[H][O:37][C:36]1:[C:35]([H:76]):[C:33]([O:34][H:75]):[C:32]2:[C:31]([H:74]):[C:30]([O:29][C@:28]3([H:84])[O:27][C@@:26]([C:25]([O:24][H:93])([H:91])[H:92])([H:73])[C@:53]([O:54][H:89])([H:90])[C@@:51]([O:52][H:87])([H:88])[C@:49]3([O:50][H:85])[H:86]):[C:41]([C:42]3:[C:43]([H:79]):[C:44]([H:80]):[C:45]([O:46][H:81]):[C:47]([H:82]):[C:48]:3[H:83]):[O+:40]:[C:39]:2:[C:38]:1[H:78]>>[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([O:37][C:36]2:[C:35]([H:76]):[C:33]([O:34][H:75]):[C:32]3:[C:31]([H:74]):[C:30]([O:29][C@:28]4([H:84])[O:27][C@@:26]([C:25]([O:24][H:93])([H:91])[H:92])([H:73])[C@:53]([O:54][H:89])([H:90])[C@@:51]([O:52][H:87])([H:88])[C@:49]4([O:50][H:85])[H:86]):[C:41]([C:42]4:[C:43]([H:79]):[C:44]([H:80]):[C:45]([O:46][H:81]):[C:47]([H:82]):[C:48]:4[H:83]):[O+:40]:[C:39]:3:[C:38]:2[H:78])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]

Derived Operators

EVODEX.1-F44 - Elemental Balance

O	5
C	6
H	10

EVODEX.1-M15 - Mass Difference

162.0528

EVODEX.1-E524 - Reaction Operator E

([#6:36]-[#8:37]-[H].[#8:50]-[#6@:49](-[#6@:28])(-[H:86])-[#6@:51](-[#8:52])(-[H:88])-[#6@@:53](-[#6@@:26])(-[#8:54])-[H:90])>>([#8:37](-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])-[#6:36].[#8:54]-[#6@@:53](-[#6@@:26])(-[H:90])-[#6@@:51](-[#8:52])(-[H:88])-[#6@:49](-[#6@:28])(-[#8:50])-[H:86])

EVODEX.1-C24 - Reaction Operator C

[H]-[#8:20]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6](-[H])(-[#8:20])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]

EVODEX.1-N9 - Reaction Operator N

[H]-[#8:48]-[#6@:47]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8:48]-[#6@:47])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]

EVODEX.1-Em12 - Reaction Operator Em

[H]-[#8:36]-[#6:37]>>[#8]-[#6](-[H])(-[#8:36]-[#6:37])-[#6]

EVODEX.1-Cm7 - Reaction Operator Cm

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm16 - Reaction Operator Nm

[H]-[#8:36]-[#6:37]>>[#8]-[#6](-[H])(-[#8:36]-[#6:37])-[#6]

Source Full Reactions

EVODEX.1-R3143

[C:1]([O:2][C:3]1:[C:4]([H:55]):[C:5]([C:6](=[O:7])[O:8][C@:9]2([H:56])[O:10][C@@:11]([C:12]([O:13][H:57])([H:58])[H:59])([H:60])[C@:14]([O:15][H:61])([H:62])[C@@:16]([O:17][H:63])([H:64])[C@:18]2([O:19][H:65])[H:66]):[C:20]([H:67]):[C:21]([H:68]):[C:22]:1[O:23][H:69])([H:70])([H:71])[H:72].[H][O:37][C:36]1:[C:35]([H:76]):[C:33]([O:34][H:75]):[C:32]2:[C:31]([H:74]):[C:30]([O:29][C@:28]3([H:84])[O:27][C@@:26]([C:25]([O:24][H:93])([H:91])[H:92])([H:73])[C@:53]([O:54][H:89])([H:90])[C@@:51]([O:52][H:87])([H:88])[C@:49]3([O:50][H:85])[H:86]):[C:41]([C:42]3:[C:43]([H:79]):[C:44]([H:80]):[C:45]([O:46][H:81]):[C:47]([H:82]):[C:48]:3[H:83]):[O+:40]:[C:39]:2:[C:38]:1[H:78]>>[C@@:9]1([O:37][C:36]2:[C:35]([H:76]):[C:33]([O:34][H:75]):[C:32]3:[C:31]([H:74]):[C:30]([O:29][C@:28]4([H:84])[O:27][C@@:26]([C:25]([O:24][H:93])([H:91])[H:92])([H:73])[C@:53]([O:54][H:89])([H:90])[C@@:51]([O:52][H:87])([H:88])[C@:49]4([O:50][H:85])[H:86]):[C:41]([C:42]4:[C:43]([H:79]):[C:44]([H:80]):[C:45]([O:46][H:81]):[C:47]([H:82]):[C:48]:4[H:83]):[O+:40]:[C:39]:3:[C:38]:2[H:78])([H:56])[O:10][C@@:11]([C:12]([O:13][H:57])([H:58])[H:59])([H:60])[C@:14]([O:15][H:61])([H:62])[C@@:16]([O:17][H:63])([H:64])[C@:18]1([O:19][H:65])[H:66].[H][O:8][C:6]([C:5]1:[C:4]([H:55]):[C:3]([O:2][C:1]([H:70])([H:71])[H:72]):[C:22]([O:23][H:69]):[C:21]([H:68]):[C:20]:1[H:67])=[O:7]

EVODEX.1-R3144

[O:1]=[C:2]([O:3][C@:4]1([H:53])[O:5][C@@:6]([C:7]([O:8][H:54])([H:55])[H:56])([H:57])[C@:9]([O:10][H:58])([H:59])[C@@:11]([O:12][H:60])([H:61])[C@:13]1([O:14][H:62])[H:63])[C:15]1:[C:16]([H:64]):[C:17]([H:65]):[C:18]([O:19][H:66]):[C:20]([H:67]):[C:21]:1[H:68].[H][O:35][C:34]1:[C:33]([H:72]):[C:31]([O:32][H:71]):[C:30]2:[C:29]([H:70]):[C:28]([O:27][C@:26]3([H:80])[O:25][C@@:24]([C:23]([O:22][H:89])([H:87])[H:88])([H:69])[C@:51]([O:52][H:85])([H:86])[C@@:49]([O:50][H:83])([H:84])[C@:47]3([O:48][H:81])[H:82]):[C:39]([C:40]3:[C:41]([H:75]):[C:42]([H:76]):[C:43]([O:44][H:77]):[C:45]([H:78]):[C:46]:3[H:79]):[O+:38]:[C:37]:2:[C:36]:1[H:74]>>[C@@:4]1([O:35][C:34]2:[C:33]([H:72]):[C:31]([O:32][H:71]):[C:30]3:[C:29]([H:70]):[C:28]([O:27][C@:26]4([H:80])[O:25][C@@:24]([C:23]([O:22][H:89])([H:87])[H:88])([H:69])[C@:51]([O:52][H:85])([H:86])[C@@:49]([O:50][H:83])([H:84])[C@:47]4([O:48][H:81])[H:82]):[C:39]([C:40]4:[C:41]([H:75]):[C:42]([H:76]):[C:43]([O:44][H:77]):[C:45]([H:78]):[C:46]:4[H:79]):[O+:38]:[C:37]:3:[C:36]:2[H:74])([H:53])[O:5][C@@:6]([C:7]([O:8][H:54])([H:55])[H:56])([H:57])[C@:9]([O:10][H:58])([H:59])[C@@:11]([O:12][H:60])([H:61])[C@:13]1([O:14][H:62])[H:63].[H][O:3][C:2](=[O:1])[C:15]1:[C:16]([H:64]):[C:17]([H:65]):[C:18]([O:19][H:66]):[C:20]([H:67]):[C:21]:1[H:68]