Hydrochloric Acid → 4-Anilino-5-chloro-2-{4-{N-[3-(imidazol-1-yl)propyl]carbamoyl}anilino}pyrimidine
Reaction equation
[CH3:54][N:55]([CH3:56])[CH2:57][CH2:58][CH2:59][N:60]=[C:61]=[N:62][CH2:63][CH3:64].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:65][CH2:66][Cl:67].[ClH:53].[NH2:25][CH2:26][CH2:27][CH2:28][n:29]1[cH:30][n:31][cH:32][cH:33]1.[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][c:10]([NH:15][c:16]2[cH:17][cH:18][c:19]([C:22](=[O:23])[OH:24])[cH:20][cH:21]2)[n:11][cH:12][c:13]1[Cl:14].[OH:34][n:35]1[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][c:10]([NH:15][c:16]2[cH:17][cH:18][c:19]([C:22](=[O:24])[NH:25][CH2:26][CH2:27][CH2:28][n:29]3[cH:30][n:31][cH:32][cH:33]3)[cH:20][cH:21]2)[n:11][cH:12][c:13]1[Cl:14]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-7f139a8d45ad4d4f9d7d108b1d96d100
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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