Ethanol → tert-butyl 3-[[4-[4-(dimethylamino)butanoylamino]-2-hydroxyphenyl]sulfonylamino]-4,4-diethoxybutanoate

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]([CH:9]([O:10][CH2:11][CH3:12])[O:13][CH2:14][CH3:15])[NH:16][S:17](=[O:18])(=[O:19])[c:20]1[c:21]([O:35][CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:22][c:23]([NH:26][C:27]([CH2:28][CH2:29][CH2:30][N:31]([CH3:32])[CH3:33])=[O:34])[cH:24][cH:25]1)=[O:43].[CH3:44][CH2:45][OH:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]([CH:9]([O:10][CH2:11][CH3:12])[O:13][CH2:14][CH3:15])[NH:16][S:17](=[O:18])(=[O:19])[c:20]1[c:21]([OH:35])[cH:22][c:23]([NH:26][C:27]([CH2:28][CH2:29][CH2:30][N:31]([CH3:32])[CH3:33])=[O:34])[cH:24][cH:25]1)=[O:43]

참가 물질

반응물 2

HCID 702Ethanol

HCID 69692489Tert-butyl 3-[[4-[4-(dimethylamino)butanoylamino]-2-phenylmethoxyphenyl]sulfonylamino]-4,4-diethoxybutanoate

생성물 1

HCID 178471452tert-butyl 3-[[4-[4-(dimethylamino)butanoylamino]-2-hydroxyphenyl]sulfonylamino]-4,4-diethoxybutanoate

출처 및 근거

ORD 기록: ord-1b66e55024534eb984facea51ea9de18
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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