Bicarbonate Ion → 5-[5-(Ethylsulfonyl)-4-methoxy-2-(1-methylethyl)phenoxy]-2,4-pyrimidinediamine
Reaction equation
[C:31](=[O:32])([OH:33])[O-:34].[CH2:36]([CH3:37])[I:38].[NH2:7][c:8]1[n:9][cH:10][c:11]([O:15][c:16]2[c:17]([CH:28]([CH3:29])[CH3:30])[cH:18][c:19]([O:26][CH3:27])[c:20]([S:22](=[O:23])(=[O:24])[Cl:25])[cH:21]2)[c:12]([NH2:14])[n:13]1.[Na+:35].[Na+:5].[Na+:6].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH2:39].[S:1]([O-:2])([O-:3])=[O:4]>>[NH2:7][c:8]1[n:9][cH:10][c:11]([O:15][c:16]2[c:17]([CH:28]([CH3:29])[CH3:30])[cH:18][c:19]([O:26][CH3:27])[c:20]([S:22](=[O:23])(=[O:24])[CH2:36][CH3:37])[cH:21]2)[c:12]([NH2:14])[n:13]1Participants
8
Sources & evidence
- ORD record
- ord-015f1695b83e44198f8c9c12c2ad24e6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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