Dimethyl Sulfoxide → HCID 178527112, compound
Reaction equation
[CH3:51][S:52]([CH3:53])=[O:54].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([N:8]3[CH2:9][CH2:10][N:11]([c:14]4[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]4)[CH2:12][CH2:13]3)[n:7]1)[CH2:21][CH2:22][S:23]2=[O:24].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:44].[c:25]1([CH:31]([NH2:32])[CH2:33][OH:34])[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[c:2]1([NH:32][CH:31]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:33][OH:34])[c:3]2[c:4]([n:5][c:6]([N:8]3[CH2:9][CH2:10][N:11]([c:14]4[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]4)[CH2:12][CH2:13]3)[n:7]1)[CH2:21][CH2:22][S:23]2=[O:24]Participants
7
Sources & evidence
- ORD record
- ord-cb4dc0dacd174e5ea5d3f001f4c29498
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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