N,N-Dimethylglycine → 3-[4-amino-5-(2-benzyl-2H-indazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-1-(N,N-dimethylglycyl)piperidin-3-ol
Reaction equation
[CH3:34][N:35]([CH3:36])[CH2:37][C:38]([OH:39])=[O:40].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:18]1[cH:19][cH:20][c:21]3[cH:22][n:23]([CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[n:24][c:25]3[cH:26]1)[cH:9][c:10]2[C:11]1([OH:17])[CH2:12][NH:13][CH2:14][CH2:15][CH2:16]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:18]1[cH:19][cH:20][c:21]3[cH:22][n:23]([CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[n:24][c:25]3[cH:26]1)[cH:9][c:10]2[C:11]1([OH:17])[CH2:12][N:13]([C:38]([CH2:37][N:35]([CH3:34])[CH3:36])=[O:39])[CH2:14][CH2:15][CH2:16]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-04bb4a07147b4cc08782023e39f1bc89
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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