Pyridine → 2-cyclopentyl-4-[3-(2-phenylethyl)piperazin-1-yl]-10H-[1,3]thiazolo[5,4-b][1,5]benzodiazepine

반응식

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

참가 물질

반응물 3

HCID 1049Pyridine

HCID 210934692-Cyclopentyl-4,9-dihydro-3-thia-1,4,9-triaza-benzo{f}azulene-10-thione

HCID 210935112-Phenethylpiperazine

생성물 1

HCID 1357977302-cyclopentyl-4-[3-(2-phenylethyl)piperazin-1-yl]-10H-[1,3]thiazolo[5,4-b][1,5]benzodiazepine

출처 및 근거

ORD 기록: ord-13563ca8d1174eed9602731fa2e16398
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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