Acetic Acid → HCID 58213748, compound
Reaction equation
[C:1]([Si:2]([CH3:3])([CH3:4])[O:6][c:7]1[n:8][c:9]2[c:10]([NH2:21])[n:11][c:12]3[c:13]([c:14]2[cH:15][cH:16]1)[cH:17][cH:18][cH:19][cH:20]3)([CH3:5])([CH3:22])[CH3:23].[CH2:25]([N+:26]([CH2:27][CH2:28][CH2:29][CH3:30])([CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH3:41].[CH3:42][C:43](=[O:44])[OH:45].[F-:24].[Na+:50].[O-:46][C:47]([OH:48])=[O:49].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:56]>>[O:6]=[c:7]1[nH:8][c:9]2[c:10]([NH2:21])[n:11][c:12]3[c:13]([c:14]2[cH:15][cH:16]1)[cH:17][cH:18][cH:19][cH:20]3Participants
9
Sources & evidence
- ORD record
- ord-1b1546cdc2df490f98fa9085b4adc8a5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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