Sodium ion → N-[6-(2-Acetylaminoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(3-trifluoromethyl-benzyl)-[1,4]diazepan-1-yl]-acetamide
Reaction equation
[C:3]([CH3:4])(=[O:5])[NH:6][CH2:7][CH2:8][NH:9][c:10]1[cH:11][c:12]([NH:22][C:23]([CH2:24][Cl:25])=[O:26])[n:13][c:14](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[n:15]1.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:59][C:60]#[N:61].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[F:27][C:28]([c:29]1[cH:30][c:31]([CH2:32][N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38][CH2:39]2)[cH:40][cH:41][cH:42]1)([F:43])[F:44].[I-:2].[Na+:1]>>[C:3]([CH3:4])(=[O:5])[NH:6][CH2:7][CH2:8][NH:9][c:10]1[cH:11][c:12]([NH:22][C:23]([CH2:24][N:36]2[CH2:35][CH2:34][N:33]([CH2:32][c:31]3[cH:30][c:29]([C:28]([F:27])([F:43])[F:44])[cH:42][cH:41][cH:40]3)[CH2:39][CH2:38][CH2:37]2)=[O:26])[n:13][c:14](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[n:15]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-1e32d575bd5240c3b9324effceddcee2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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