Water → HCID 23000302, compound
Reaction equation
[CH2:25]([CH3:26])[O:27][C:28]([CH2:29][NH:30][C:31](=[O:32])[c:33]1[n:34][n:35][c:36]2[n:37]1[n:38][c:39]([Cl:42])[cH:40][cH:41]2)=[O:43].[CH2:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH:49]([CH3:50])[CH3:51])[CH3:52].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[OH2:53].[c:1]1([CH:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][NH2:18])[CH2:13][CH2:14]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][NH:18][c:39]3[n:38][n:37]4[c:33]([C:31]([NH:30][CH2:29][C:28]([O:27][CH2:25][CH3:26])=[O:43])=[O:32])[n:34][n:35][c:36]4[cH:41][cH:40]3)[CH2:13][CH2:14]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-401e3811a290492c88111b705901265d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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