Water → HCID 57457071, compound
Reaction equation
[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[OH2:46].[c:19]1([C:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[Cl:38])[cH:20][cH:21][cH:22][cH:23][cH:24]1.[n:1]1[nH:2][n:3][n:4][c:5]1-[c:6]1[cH:7][cH:8][c:9]2[nH:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[c:17]2[cH:18]1>>[n:1]1[n:2][n:3]([C:25]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[n:4][c:5]1-[c:6]1[cH:7][cH:8][c:9]2[nH:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[c:17]2[cH:18]1Participants
6
Sources & evidence
- ORD record
- ord-e9452cb0e3b048c4ab9d68216751f0a7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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