Water → 3-(2-{5-Chloro-2-[3-(2-methoxy-ethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamino]-pyrimidin-4-ylamino}-5-morpholin-4-yl-phenoxy)-propionitrile
Reaction equation
[C:43]12([CH2:44][S:45]([OH:46])(=[O:47])=[O:48])[C:49]([CH3:50])([CH3:51])[CH:52]([CH2:53][CH2:54]1)[CH2:55][C:56]2=[O:57].[CH3:27][O:28][CH2:29][CH2:30][N:31]1[CH2:32][CH2:33][c:34]2[c:35]([cH:38][c:39]([NH2:42])[cH:40][cH:41]2)[CH2:36][CH2:37]1.[CH:58]([OH:59])([CH3:60])[CH3:61].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:26])[c:6]([NH:8][c:9]2[c:10]([O:11][CH2:12][CH2:13][C:14]#[N:15])[cH:16][c:17]([N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:18][cH:19]2)[n:7]1.[OH2:62]>>[c:2]1([NH:42][c:39]2[cH:38][c:35]3[c:34]([cH:41][cH:40]2)[CH2:33][CH2:32][N:31]([CH2:30][CH2:29][O:28][CH3:27])[CH2:37][CH2:36]3)[n:3][cH:4][c:5]([Cl:26])[c:6]([NH:8][c:9]2[c:10]([O:11][CH2:12][CH2:13][C:14]#[N:15])[cH:16][c:17]([N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:18][cH:19]2)[n:7]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-7bca5f373727476d996418ecc33a4cc9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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