Toluene → 7-chloro-6-[(5-fluoro-pyridin-2-ylmethyl)-amino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 45079543(5-Fluoropyridin-2-yl)methanamine

HCID 574477477-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethylsulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine

생성물 1

HCID 866296387-chloro-6-[(5-fluoro-pyridin-2-ylmethyl)-amino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

출처 및 근거

ORD 기록: ord-671b8fd008f744ea81a37122c064821d
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…