Water → HCID 91025454, compound
Reaction equation
[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[Cl:1][c:2]1[cH:3][c:4]([CH:25]=[CH:26][C:27](=[O:28])[OH:29])[cH:5][n:6][c:7]1[NH:8][CH:9]1[CH2:10][CH2:11][N:12]([C:15]([NH:16][c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)=[O:24])[CH2:13][CH2:14]1.[O:30]1[CH:31]([O:36][NH2:37])[CH2:32][CH2:33][CH2:34][CH2:35]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:70].[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:25]=[CH:26][C:27](=[O:28])[NH:37][O:36][CH:31]2[O:30][CH2:35][CH2:34][CH2:33][CH2:32]2)[cH:5][n:6][c:7]1[NH:8][CH:9]1[CH2:10][CH2:11][N:12]([C:15]([NH:16][c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)=[O:24])[CH2:13][CH2:14]1Participants
8
Sources & evidence
- ORD record
- ord-c8dbc149aba74830aef1ae5cd7c2c688
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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