Ethanol → 4-(1-Methylazetidin-3-yl)piperazine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide
Reaction equation
[C:1]12([CH2:2][S:3]([OH:4])(=[O:5])=[O:6])[C:7]([CH3:8])([CH3:9])[CH:10]([CH2:11][CH2:12]1)[CH2:13][C:14]2=[O:15].[CH3:58][CH2:59][OH:60].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[F:45][c:46]1[cH:47][cH:48][c:49]([CH2:52][C:53](=[O:54])[N:55]=[C:56]=[S:57])[cH:50][cH:51]1.[NH2:16][c:17]1[cH:18][c:19]([F:44])[c:20]([O:21][c:22]2[cH:23][c:24]([NH:28][C:29](=[O:30])[N:31]3[CH2:32][CH2:33][N:34]([CH:37]4[CH2:38][N:39]([CH3:41])[CH2:40]4)[CH2:35][CH2:36]3)[n:25][cH:26][n:27]2)[cH:42][cH:43]1>>[NH:16]([c:17]1[cH:18][c:19]([F:44])[c:20]([O:21][c:22]2[cH:23][c:24]([NH:28][C:29](=[O:30])[N:31]3[CH2:32][CH2:33][N:34]([CH:37]4[CH2:38][N:39]([CH3:41])[CH2:40]4)[CH2:35][CH2:36]3)[n:25][cH:26][n:27]2)[cH:42][cH:43]1)[C:56]([NH:55][C:53]([CH2:52][c:49]1[cH:48][cH:47][c:46]([F:45])[cH:51][cH:50]1)=[O:54])=[S:57]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-b930774ab0004f18aedccb99940f0fc4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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