Water → HCID 178475414, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[C:6]2([CH3:7])[CH:8]([CH2:9][CH:10]1[CH2:11][CH:12]=[CH2:13])[CH:14]1[CH2:15][CH2:16][c:17]3[cH:18][c:19]([O:26][CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:20][cH:21][c:22]3[CH:23]1[CH2:24][CH2:25]2.[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:34][N+:35]([CH3:36])([CH3:37])[O-:38].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[OH2:39]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[C:6]2([CH3:7])[CH:8]([CH2:9][CH:10]1[CH2:11][CH2:12][CH2:13][OH:38])[CH:14]1[CH2:15][CH2:16][c:17]3[cH:18][c:19]([O:26][CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:20][cH:21][c:22]3[CH:23]1[CH2:24][CH2:25]2Participants
6
Sources & evidence
- ORD record
- ord-0234557089b54d5d9a3fcbcd788c0023
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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