Dimethyl Sulfoxide → HCID 75605024, compound
Reaction equation
[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:31][N:32]([CH:33]1[CH2:34][NH:35][CH2:36][CH2:37]1)[CH3:38].[CH3:44][S:45](=[O:46])[CH3:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[NH2:1][c:2]1[cH:3][c:4](-[c:8]2[c:9]([F:23])[c:10]3[c:11]([n:12][c:13]([CH:15]4[CH2:16][CH2:17]4)[o:14]3)[c:18]([C:21]#[N:22])[c:19]2[CH3:20])[cH:5][cH:6][cH:7]1.[Na+:39].[OH:40][C:41](=[O:42])[O-:43]>>[NH2:1][c:2]1[cH:3][c:4](-[c:8]2[c:9]([N:35]3[CH2:34][CH:33]([N:32]([CH3:31])[CH3:38])[CH2:37][CH2:36]3)[c:10]3[c:11]([n:12][c:13]([CH:15]4[CH2:16][CH2:17]4)[o:14]3)[c:18]([C:21]#[N:22])[c:19]2[CH3:20])[cH:5][cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-b7b5b786e669431fa21b8cf58eee7866
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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