Trifluoroacetic acid → {5-[4-(2-Cyano-phenyl)-piperazine-1-carbonyl]-pyrrolidin-3-yl}-(benzyl)-carbamic acid 2,2,2-trichloro-ethyl ester

반응식

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

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 675465492-[4-(2-Cyano-phenyl)-piperazine-1-carbonyl]-4-[(benzyl)-(2,2,2-trichloroethoxycarbonyl)-amino]-pyrrolidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 67547167{5-[4-(2-Cyano-phenyl)-piperazine-1-carbonyl]-pyrrolidin-3-yl}-(benzyl)-carbamic acid 2,2,2-trichloro-ethyl ester

출처 및 근거

ORD 기록: ord-09e702ccce804be68920987e98a30f63
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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