3-[5-Amino-6-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-yl]benzoic acid → [3-[5-Amino-6-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-yl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

반응식

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

참가 물질

반응물 2

HCID 211111353-[5-Amino-6-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-yl]benzoic acid

HCID 211114694-(Pyrrolidin-1-yl)piperidin-1-amine

생성물 1

HCID 21111139[3-[5-Amino-6-[[3-fluoro-2-(trifluoromethyl)phenyl]methoxy]pyrazin-2-yl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

출처 및 근거

ORD 기록: ord-d5335fe00ebd46f49707dc1baced6d30
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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