1-[4-[(4-Fluorophenyl)methyl]phenyl]piperazine → 5-[2-(4-(4-(4-Fluorophenyl)methylphenyl)piperazin-1-yl)acetyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine

HRID 142076

반응식

HRID 142076 반응식
[Br:1][CH2:2][C:3](=[O:4])[N:5]1[CH2:6][CH2:7][CH2:8][O:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2.[F:16][c:17]1[cH:18][cH:19][c:20]([CH2:23][c:24]2[cH:25][cH:26][c:27]([N:30]3[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]3)[cH:28][cH:29]2)[cH:21][cH:22]1>>[CH2:2]([C:3](=[O:4])[N:5]1[CH2:6][CH2:7][CH2:8][O:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2)[N:33]1[CH2:32][CH2:31][N:30]([c:27]2[cH:26][cH:25][c:24]([CH2:23][c:20]3[cH:19][cH:18][c:17]([F:16])[cH:22][cH:21]3)[cH:29][cH:28]2)[CH2:35][CH2:34]1

참가 물질

3

출처 및 근거

ORD 기록
ord-a89c47a5ace040b5943b71d4a1c2b437
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…