Isopropanol → 2-{5-Chloro-2-[12-(2-methoxy-ethyl)-12-aza-tricyclo[7.2.1.0(2,7)]dodeca-2(7),3,5-trien-4-ylamino]-pyrimidin-4-ylamino}-3-fluoro-N-methyl-benzamide
Reaction equation
[C:38]12([CH2:39][S:40]([OH:41])(=[O:42])=[O:43])[C:44]([CH3:45])([CH3:46])[CH:47]([CH2:48][CH2:49]1)[CH2:50][C:51]2=[O:52].[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH:6]2[c:7]3[cH:8][c:9]([NH2:17])[cH:10][cH:11][c:12]3[CH2:13][CH:14]1[CH2:15][CH2:16]2.[CH:57]([OH:58])([CH3:59])[CH3:60].[Cl:18][c:19]1[n:20][cH:21][c:22]([Cl:37])[c:23]([NH:25][c:26]2[c:27]([C:28](=[O:29])[NH:30][CH3:31])[cH:32][cH:33][cH:34][c:35]2[F:36])[n:24]1.[O-:53][C:54](=[O:55])[O-:56]>>[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH:6]2[c:7]3[cH:8][c:9]([NH:17][c:19]4[n:20][cH:21][c:22]([Cl:37])[c:23]([NH:25][c:26]5[c:27]([C:28](=[O:29])[NH:30][CH3:31])[cH:32][cH:33][cH:34][c:35]5[F:36])[n:24]4)[cH:10][cH:11][c:12]3[CH2:13][CH:14]1[CH2:15][CH2:16]2Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-1e70d1c56d344f28b166b1ddf928e262
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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