Methanol → tert-butyl 2-(N-(3-aminobenzyl)-2-(1-(bis(tert-butoxycarbonyl)amino)isoquinolin-6-ylamino)-2-(4-(2-hydroxyethyl)-3,5-dimethylphenyl)acetamido)acetate
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[n:10][cH:11][cH:12][c:13]2[cH:14][c:15]([NH:19][CH:20]([C:21](=[O:22])[N:23]([CH2:24][c:25]3[cH:26][c:27]([N+:31]([O-:32])=[O:33])[cH:28][cH:29][cH:30]3)[CH2:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[c:42]3[cH:43][c:44]([CH3:52])[c:45]([CH2:49][CH2:50][OH:51])[c:46]([CH3:48])[cH:47]3)[cH:16][cH:17][c:18]12)[C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59].[CH3:60][OH:61]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[n:10][cH:11][cH:12][c:13]2[cH:14][c:15]([NH:19][CH:20]([C:21](=[O:22])[N:23]([CH2:24][c:25]3[cH:26][c:27]([NH2:31])[cH:28][cH:29][cH:30]3)[CH2:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[c:42]3[cH:43][c:44]([CH3:52])[c:45]([CH2:49][CH2:50][OH:51])[c:46]([CH3:48])[cH:47]3)[cH:16][cH:17][c:18]12)[C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59]Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-b9ab872f6cdb4be4aab9b62e80a0e2e7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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