Acetonitrile → 2-{[(3-tert-Butoxycarbonylamino-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-5-cyano-benzoic acid methyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([CH2:14][NH:15][CH:16]2[CH2:17][CH2:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][n:24][c:25]32)[n:10][cH:11][cH:12][cH:13]1)=[O:26].[CH3:27][O:28][C:29]([c:30]1[c:31]([CH2:38][Br:39])[cH:32][cH:33][c:34]([C:36]#[N:37])[cH:35]1)=[O:40].[CH3:50][C:51]#[N:52].[CH3:53][N:54]([c:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1)[CH3:61].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([CH2:14][N:15]([CH:16]2[CH2:17][CH2:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][n:24][c:25]32)[CH2:38][c:31]2[c:30]([C:29]([O:28][CH3:27])=[O:40])[cH:35][c:34]([C:36]#[N:37])[cH:33][cH:32]2)[n:10][cH:11][cH:12][cH:13]1)=[O:26]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-78963cefa3d94e1eb2c0199446189aad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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