1,3-Propanediol → 4-t-butyl-N-[6-(3-hydroxypropyloxy)-5-(2-methoxyphenoxy)-2-(4-phenylpiperazinyl)-4-pyrimidinyl]benzenesulfonamide
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][c:17]([N:31]3[CH2:32][CH2:33][N:34]([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[CH2:35][CH2:36]3)[n:18][c:19]([Cl:30])[c:20]2[O:21][c:22]2[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]2)[cH:9][cH:10]1.[CH2:43]([CH2:44][CH2:45][OH:46])[OH:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][c:17]([N:31]3[CH2:32][CH2:33][N:34]([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[CH2:35][CH2:36]3)[n:18][c:19]([O:46][CH2:45][CH2:44][CH2:43][OH:47])[c:20]2[O:21][c:22]2[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]2)[cH:9][cH:10]1Participants
3
Sources & evidence
- ORD record
- ord-0c4116194124408a9367d050807a5604
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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