Methanol → 4-(9'-cyclohexyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepine]-2'-ylamino)-N-(3-dimethylamino-2,2-dimethyl-propyl)-3-methoxy-benzamide
Reaction equation
[CH3:55][CH:56]([CH3:57])[CH2:58][CH:59]([OH:60])[CH3:61].[CH3:62][OH:63].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:13]([n:14]1)[N:12]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1)[CH2:11][C:8]1([C:7](=[O:21])[N:6]2[CH3:22])[CH2:9][CH2:10]1.[NH2:23][c:24]1[c:25]([O:41][CH3:42])[cH:26][c:27]([C:28](=[O:29])[NH:30][CH2:31][C:32]([CH2:33][N:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38])[cH:39][cH:40]1.[OH2:43].[OH2:64].[c:44]1([CH3:45])[cH:46][cH:47][c:48]([S:49]([OH:50])(=[O:51])=[O:52])[cH:53][cH:54]1>>[c:2]1([NH:23][c:24]2[c:25]([O:41][CH3:42])[cH:26][c:27]([C:28](=[O:29])[NH:30][CH2:31][C:32]([CH2:33][N:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38])[cH:39][cH:40]2)[n:3][cH:4][c:5]2[c:13]([n:14]1)[N:12]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1)[CH2:11][C:8]1([C:7](=[O:21])[N:6]2[CH3:22])[CH2:9][CH2:10]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-2b3c3acdba9149d495e8841edbe5b66a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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