Water → HCID 21890773, compound
Reaction equation
[CH2:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[N:50]1[CH2:51][CH2:52][CH:53]([NH2:56])[CH2:54][CH2:55]1.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH:57]([Cl:58])([Cl:59])[Cl:60].[Cl:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][cH:7][c:8]1[O:9][c:10]1[cH:11][cH:12][n:13][c:14]2[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][c:19]12.[Cl:31][C:32]([Cl:33])([O:34][C:35]([O:36][C:37]([Cl:38])([Cl:39])[Cl:40])=[O:41])[Cl:42].[OH2:61]>>[Cl:1][c:2]1[cH:3][c:4]([NH:5][C:35](=[O:41])[NH:56][CH:53]2[CH2:52][CH2:51][N:50]([CH2:43][c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[CH2:55][CH2:54]2)[cH:6][cH:7][c:8]1[O:9][c:10]1[cH:11][cH:12][n:13][c:14]2[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][c:19]12Participants
7
Sources & evidence
- ORD record
- ord-df80d32bac2048d28ee774899ace5bce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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