Dimethyl Sulfoxide → HCID 50906175, compound
Reaction equation
[CH3:44][O:45][CH2:46][CH2:47][O:48][S:49]([c:50]1[cH:51][cH:52][c:53]([CH3:54])[cH:55][cH:56]1)(=[O:57])=[O:58].[CH3:59][S:60]([CH3:61])=[O:62].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:8][CH:9]1[CH2:10][CH2:11][CH:12]([NH:15][c:16]2[n:17][cH:18][c:19]([Cl:37])[c:20](-[c:22]3[n:23][c:24]([NH:29][CH2:30][CH:31]4[CH2:32][CH2:33][O:34][CH2:35][CH2:36]4)[cH:25][cH:26][c:27]3[F:28])[cH:21]2)[CH2:13][CH2:14]1.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43]>>[NH:8]([CH:9]1[CH2:10][CH2:11][CH:12]([NH:15][c:16]2[n:17][cH:18][c:19]([Cl:37])[c:20](-[c:22]3[n:23][c:24]([NH:29][CH2:30][CH:31]4[CH2:32][CH2:33][O:34][CH2:35][CH2:36]4)[cH:25][cH:26][c:27]3[F:28])[cH:21]2)[CH2:13][CH2:14]1)[CH2:47][CH2:46][O:45][CH3:44]Participants
7
Sources & evidence
- ORD record
- ord-c8bf2bf3b1af4497b82956de540bcf48
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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