Water → HCID 18174723, compound
Reaction equation
[CH3:38][C:39](=[O:40])[CH2:41][CH3:42].[Cl:1][c:2]1[o:3][c:4]([CH2:14][CH2:15][CH2:16][O:17][c:18]2[c:19]([O:24][CH3:25])[cH:20][cH:21][cH:22][cH:23]2)[c:5](-[c:7]2[cH:8][cH:9][c:10]([Cl:13])[cH:11][cH:12]2)[n:6]1.[OH2:43].[c:26]1([N:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[c:2]1([N:35]2[CH2:34][CH2:33][N:32]([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:37][CH2:36]2)[o:3][c:4]([CH2:14][CH2:15][CH2:16][O:17][c:18]2[c:19]([O:24][CH3:25])[cH:20][cH:21][cH:22][cH:23]2)[c:5](-[c:7]2[cH:8][cH:9][c:10]([Cl:13])[cH:11][cH:12]2)[n:6]1Participants
5
Sources & evidence
- ORD record
- ord-7ff3d9f49e244c98bb4fe73b4698e869
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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