Water → 2-[(4-{2-[[(5-chloro-1H-indol-2-yl)carbonyl](heptyl)amino]ethyl}-1,3-thiazol-2-yl)thio]-2-methylpropionic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][NH:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[n:15]1)=[O:26].[CH3:40][N:41]([CH3:42])[CH2:43][CH2:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH3:50].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[Cl:27][c:28]1[cH:29][c:30]2[cH:31][c:32]([C:37](=[O:38])[OH:39])[nH:33][c:34]2[cH:35][cH:36]1.[OH2:66].[OH:51][c:52]1[c:53]2[n:54][n:55][nH:56][c:57]2[cH:58][cH:59][cH:60]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][N:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[C:37]([c:32]2[cH:31][c:30]3[cH:29][c:28]([Cl:27])[cH:36][cH:35][c:34]3[nH:33]2)=[O:38])[n:15]1)=[O:26]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-03b31d0e47f74ee5b5957c3a9320787f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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