Water → HCID 22903474, compound
Reaction equation
[CH3:35][N:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:34]1)[CH2:7][CH2:8][CH2:9][CH2:10][N:11]2[C:12]([c:13]1[cH:14][n:15][c:16]([NH:19][C:20]([c:21]2[c:22]([O:27][CH2:28][C:29](=[O:30])[OH:31])[cH:23][cH:24][cH:25][cH:26]2)=[O:32])[cH:17][cH:18]1)=[O:33].[Cl:50][CH2:51][Cl:52].[OH2:49]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:34]1)[CH2:7][CH2:8][CH2:9][CH2:10][N:11]2[C:12]([c:13]1[cH:14][n:15][c:16]([NH:19][C:20]([c:21]2[c:22]([O:27][CH2:28][C:29](=[O:30])[N:39]3[CH2:38][CH2:37][N:36]([CH3:35])[CH2:41][CH2:40]3)[cH:23][cH:24][cH:25][cH:26]2)=[O:32])[cH:17][cH:18]1)=[O:33]Participants
6
Sources & evidence
- ORD record
- ord-f26403e9fb064369850cdd4af0f7b6a4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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