Dichloromethane → 2-(N-(biphenyl-3-ylmethyl)-2,2-dimethylchroman-6-sulfonamido)acetic acid

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 67332759tert-butyl 2-(N-(biphenyl-3-ylmethyl)-2,2-dimethylchroman-6-sulfonamido)acetate

생성물 1

HCID 533547932-(N-(biphenyl-3-ylmethyl)-2,2-dimethylchroman-6-sulfonamido)acetic acid

출처 및 근거

ORD 기록: ord-ccc8fe25cb394a3f83bb62690c26335c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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