Benzyl isocyanate → [2'-(3-Benzyl-1-ethyl-ureidomethyl)-6-methoxy-4'-quinolin-6-yl-biphenyl-3-yl]-acetic acid ethyl ester
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8](-[c:14]2[c:15]([CH2:30][NH:31][CH2:32][CH3:33])[cH:16][c:17](-[c:20]3[cH:21][c:22]4[cH:23][cH:24][cH:25][n:26][c:27]4[cH:28][cH:29]3)[cH:18][cH:19]2)[c:9]([O:12][CH3:13])[cH:10][cH:11]1)=[O:34].[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[N:42]=[C:43]=[O:44]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8](-[c:14]2[c:15]([CH2:30][N:31]([CH2:32][CH3:33])[C:43]([NH:42][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)=[O:44])[cH:16][c:17](-[c:20]3[cH:21][c:22]4[cH:23][cH:24][cH:25][n:26][c:27]4[cH:28][cH:29]3)[cH:18][cH:19]2)[c:9]([O:12][CH3:13])[cH:10][cH:11]1)=[O:34]Participants
3
Sources & evidence
- ORD record
- ord-883f957869a343caac87fa94482fe74f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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