Dichloromethane → tert-butyl N-[4-[[2-[4-[4-(azetidin-1-ylsulfonyl)phenyl]phenyl]-1-cyanoethyl]carbamoyl]oxan-4-yl]carbamate

반응식

[Cl:42][CH2:43][Cl:44].[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[N:20]3[CH2:21][CH2:22][CH2:23]3)[cH:15][cH:16]2)[cH:9][cH:10]1)[NH:24][C:25](=[O:26])[C:27]1([NH:33][C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1)=[O:41]>>[N:1]#[C:2][CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[N:20]3[CH2:21][CH2:22][CH2:23]3)[cH:15][cH:16]2)[cH:9][cH:10]1)[NH:24][C:25](=[O:26])[C:27]1([NH:33][C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1

참가 물질

반응물 2

HCID 6344Dichloromethane

HCID 77795517tert-butyl N-[4-[[1-amino-3-[4-[4-(azetidin-1-ylsulfonyl)phenyl]phenyl]-1-oxopropan-2-yl]carbamoyl]oxan-4-yl]carbamate

생성물 1

HCID 77795133tert-butyl N-[4-[[2-[4-[4-(azetidin-1-ylsulfonyl)phenyl]phenyl]-1-cyanoethyl]carbamoyl]oxan-4-yl]carbamate

출처 및 근거

ORD 기록: ord-6f7e72f140c542e8848192bd81e71191
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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