Water → HCID 68496251, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]2[n:17]([CH3:33])[c:18]3[cH:19][cH:20][c:21]([O:25][c:26]4[n:27][cH:28][c:29]([NH2:32])[cH:30][cH:31]4)[cH:22][c:23]3[cH:24]2)[CH2:12][CH2:13]1.[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[Cl:34][c:35]1[cH:36][c:37]([S:42](=[O:43])(=[O:44])[Cl:45])[cH:38][cH:39][c:40]1[Cl:41].[OH2:52].[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]2[n:17]([CH3:33])[c:18]3[cH:19][cH:20][c:21]([O:25][c:26]4[n:27][cH:28][c:29]([NH:32][S:42]([c:37]5[cH:36][c:35]([Cl:34])[c:40]([Cl:41])[cH:39][cH:38]5)(=[O:43])=[O:44])[cH:30][cH:31]4)[cH:22][c:23]3[cH:24]2)[CH2:12][CH2:13]1Participants
6
Sources & evidence
- ORD record
- ord-53c3cc9e61784b9c9ef966962641dac0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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