Water → HCID 86616751, compound
Reaction equation
[CH3:18][c:19]1[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[O:28][c:29]2[cH:30][cH:31][c:32]([S:35](=[O:36])(=[O:37])[Cl:38])[cH:33][cH:34]2)[cH:23][cH:24]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:52][CH2:53][Cl:54].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:46].[OH:1][N:2]=[C:3]1[C:4](=[C:8]([C:9]#[N:10])[c:11]2[c:12]([CH3:17])[cH:13][cH:14][cH:15][cH:16]2)[S:5][CH:6]=[CH:7]1>>[O:1]([N:2]=[C:3]1[C:4](=[C:8]([C:9]#[N:10])[c:11]2[c:12]([CH3:17])[cH:13][cH:14][cH:15][cH:16]2)[S:5][CH:6]=[CH:7]1)[S:35]([c:32]1[cH:31][cH:30][c:29]([O:28][S:25]([c:22]2[cH:21][cH:20][c:19]([CH3:18])[cH:24][cH:23]2)(=[O:26])=[O:27])[cH:34][cH:33]1)(=[O:36])=[O:37]Participants
7
Sources & evidence
- ORD record
- ord-e0623c91cca54e49bf051ad0f1cbd258
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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