Water → 2-({4-[2-(Heptylamino)-2-oxoethyl]-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][C:17](=[O:18])[OH:19])[n:15]1)=[O:20].[CH2:21]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[NH2:28].[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39].[Cl:50][CH2:51][Cl:52].[OH2:53].[OH:40][c:41]1[c:42]2[n:43][n:44][nH:45][c:46]2[cH:47][cH:48][cH:49]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][C:17](=[O:19])[NH:28][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[n:15]1)=[O:20]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-8b0d0978c7f74b0ca1e38acf291188ee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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