Water → HCID 18995660, compound
Reaction equation
[Br:39][CH2:40][CH:41]([CH2:42][Cl:43])[CH3:44].[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[Li:34][CH2:35][CH2:36][CH2:37][CH3:38].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH2:55].[c:1]1([CH2:7][N:8]([c:9]2[n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[c:17]3[c:18]2[n:19][c:20]([CH3:26])[n:21]3[CH2:22][O:23][CH2:24][CH3:25])[CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][N:8]([c:9]2[n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[c:17]3[c:18]2[n:19][c:20]([CH2:26][CH2:40][CH:41]([CH2:42][Cl:43])[CH3:44])[n:21]3[CH2:22][O:23][CH2:24][CH3:25])[CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
7
Sources & evidence
- ORD record
- ord-e36036def7284833a2584117415dba4d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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