Dimethyl Sulfoxide → HCID 68779424, compound
Reaction equation
[CH3:1][c:2]1[n:3][o:4][c:5]([NH:8][C:9]([O:10][CH2:11][C:12]([Cl:13])([Cl:14])[Cl:15])=[O:16])[c:6]1[CH3:7].[CH3:46][S:47](=[O:48])[CH3:49].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[N:17]1([c:23]2[s:24][cH:25][c:26](-[c:28]3[cH:29][c:30]([C:31]#[N:32])[cH:33][cH:34][cH:35]3)[n:27]2)[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]1.[OH2:45]>>[CH3:1][c:2]1[n:3][o:4][c:5]([NH:8][C:9](=[O:16])[N:20]2[CH2:19][CH2:18][N:17]([c:23]3[s:24][cH:25][c:26](-[c:28]4[cH:29][c:30]([C:31]#[N:32])[cH:33][cH:34][cH:35]4)[n:27]3)[CH2:22][CH2:21]2)[c:6]1[CH3:7]Participants
6
Sources & evidence
- ORD record
- ord-6ee0b73251394fb083eb7c294d3debbe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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