p-Isopropylphenyl isocyanate → 2-Benzyloxy-3-(4-{2-[1-heptyl-3-(4-isopropyl-phenyl)-ureido]-ethyl}-phenyl)-propionic acid ethyl ester
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][CH2:14][N:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[cH:11][cH:12]1)[O:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[O:38].[N:39](=[C:40]=[O:41])[c:42]1[cH:43][cH:44][c:45]([CH:48]([CH3:49])[CH3:50])[cH:46][cH:47]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][CH2:14][N:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[C:40]([NH:39][c:42]2[cH:43][cH:44][c:45]([CH:48]([CH3:49])[CH3:50])[cH:46][cH:47]2)=[O:41])[cH:11][cH:12]1)[O:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[O:38]Participants
3
Sources & evidence
- ORD record
- ord-0233ca480342420eab492f964467627e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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