Dimethyl Sulfoxide → HCID 53379130, compound
Reaction equation
[CH3:41][S:42]([CH3:43])=[O:44].[Cl:1][c:2]1[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10]([CH2:12][N:13]1[CH2:14][CH2:15][CH:16]([C:19]([CH3:20])([CH3:21])[OH:22])[CH2:17][CH2:18]1)[n:11]2.[F:29][CH:30]([c:31]1[n:32][c:33]2[c:34]([nH:35]1)[cH:36][cH:37][cH:38][cH:39]2)[F:40]>>[c:2]1(-[n:32]2[c:31]([CH:30]([F:29])[F:40])[n:35][c:34]3[c:33]2[cH:39][cH:38][cH:37][cH:36]3)[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10]([CH2:12][N:13]1[CH2:14][CH2:15][CH:16]([C:19]([CH3:20])([CH3:21])[OH:22])[CH2:17][CH2:18]1)[n:11]2Participants
4
Sources & evidence
- ORD record
- ord-35b40fe2d3684ea2992dc5281419e6f8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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