Methanol → 3-[5-chloro-2-(1-ethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-8-ylamino)-pyrimidin-4-ylamino]-thiophene-2-carboxylic acid methylamide
Reaction equation
[CH2:36]([Cl:37])[Cl:38].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:1][NH:2][C:3](=[O:4])[c:5]1[s:6][cH:7][cH:8][c:9]1[NH:10][c:11]1[n:12][c:13]([NH:18][c:19]2[cH:20][cH:21][c:22]3[c:23]([cH:35]2)[N:24]([CH2:33][CH3:34])[C:25](=[O:32])[CH2:26][N:27]([C:29](=[O:30])[CH3:31])[CH2:28]3)[n:14][cH:15][c:16]1[Cl:17].[CH3:39][OH:40].[CH3:42][NH2:43].[CH3:44][NH2:45].[OH2:41]>>[CH3:1][NH:2][C:3](=[O:4])[c:5]1[s:6][cH:7][cH:8][c:9]1[NH:10][c:11]1[n:12][c:13]([NH:18][c:19]2[cH:20][cH:21][c:22]3[c:23]([cH:35]2)[N:24]([CH2:33][CH3:34])[C:25](=[O:32])[CH2:26][NH:27][CH2:28]3)[n:14][cH:15][c:16]1[Cl:17]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-01fb65ab46fa4002aa7fe24d3a5afb0c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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