Ethyl Acetate → Omeprazole

반응식

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

참가 물질

반응물 3

HCID 8857Ethyl Acetate

HCID 70297m-Chloroperbenzoic acid

HCID 155794Omeprazole sulfide

생성물 1

HCID 4594Omeprazole

출처 및 근거

ORD 기록: ord-1a3244abf02b47df94fc6d6b6c597530
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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