p-Toluenesulfonic acid → HCID 178453790, 화합물

반응식

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

참가 물질

반응물 3

HCID 6101p-Toluenesulfonic acid

HCID 178564734-Fluoropyrrolidine-2-carbonitrile

HCID 178453840HCID 178453840, 화합물

생성물 1

HCID 178453790HCID 178453790, 화합물

출처 및 근거

ORD 기록: ord-8383ea4cae364e16a463c769276f153a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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