Acetone → 7-(4-[1,2-Dihydroxyethyl]-phenyl)-4-ethoxy-9-methyl-2-piperazin-1-yl-thieno[2,3-d:4,5-d']dipyrimidine
Reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[c:5]2[c:6]([n:7][c:8]([N:10]3[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]3)[n:9]1)[c:16]1[c:17]([n:18][c:19](-[c:23]3[cH:24][cH:25][c:26]([CH:29]=[CH2:30])[cH:27][cH:28]3)[n:20][c:21]1[CH3:22])[s:31]2.[CH3:33][N+:34]1([O-:35])[CH2:36][CH2:38][O:37][CH2:39][CH2:40]1.[CH3:41][C:42](=[O:43])[CH3:44].[OH2:32]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]2[c:6]([n:7][c:8]([N:10]3[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]3)[n:9]1)[c:16]1[c:17]([n:18][c:19](-[c:23]3[cH:24][cH:25][c:26]([CH:29]([CH2:30][OH:37])[OH:32])[cH:27][cH:28]3)[n:20][c:21]1[CH3:22])[s:31]2Participants
5
Sources & evidence
- ORD record
- ord-37330578701c4c6e90fda748a90c917a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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