Trifluoroacetic acid → Methyl 2-(2-hydroxy-5-(2-(thiomorpholin-4-yl)ethoxy)benzamido)-4-phenylbenzoate

반응식

[CH2:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[O:16][c:17]1[c:18]([C:19](=[O:20])[NH:21][c:22]2[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29][c:30](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:31]2)[cH:38][c:39]([O:42][CH2:43][CH2:44][N:45]2[CH2:46][CH2:47][S:48][CH2:49][CH2:50]2)[cH:40][cH:41]1.[OH:51][C:52]([C:53]([F:54])([F:55])[F:56])=[O:57].[c:1]1([S:2][CH3:3])[cH:4][cH:5][cH:6][cH:7][cH:8]1>>[OH:16][c:17]1[c:18]([C:19](=[O:20])[NH:21][c:22]2[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29][c:30](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:31]2)[cH:38][c:39]([O:42][CH2:43][CH2:44][N:45]2[CH2:46][CH2:47][S:48][CH2:49][CH2:50]2)[cH:40][cH:41]1

참가 물질

반응물 3

HCID 6422Trifluoroacetic acid

HCID 7520Thioanisole

HCID 66990890Methyl 2-(2-(benzyloxy)-5-(2-(thiomorpholin-4-yl)ethoxy)benzamido)-4-phenylbenzoate

생성물 1

HCID 58508814Methyl 2-(2-hydroxy-5-(2-(thiomorpholin-4-yl)ethoxy)benzamido)-4-phenylbenzoate

출처 및 근거

ORD 기록: ord-1d61154770734054bcf30458b5fad7a2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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