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Water → 2-({4-[2-(Heptylamino)-2-oxoethyl]-1,3-thiazol-2-yl}thio)-2-methylpropionic acid tert-butyl ester

HRID 173621
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HRID 173621 반응식
[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]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 962WaterHCID 6344DichloromethaneHCID 81271-HeptanamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 59759443{2-[(2-Tert-butoxy-1,1-dimethyl-2-oxoethyl)thio]-1,3-thiazol-4-yl}acetic acidHCID 178418300HCID 178418300, 화합물

생성물 1

HCID 59759075
2-({4-[2-(Heptylamino)-2-oxoethyl]-1,3-thiazol-2-yl}thio)-2-methylpropionic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-8b0d0978c7f74b0ca1e38acf291188ee
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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