2-(2-Benzothiazolylthio)acetic acid → 2-(Benzothiazol-2-ylsulfanyl)-1-(2,3,4,5-tetrahydro-benzo[b]-azepin-1-yl)-ethanone

반응식

[NH:15]1[c:16]2[c:17]([cH:22][cH:23][cH:24][cH:25]2)[CH2:18][CH2:19][CH2:20][CH2:21]1.[s:1]1[c:2]([S:10][CH2:11][C:12](=[O:13])[OH:14])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([S:10][CH2:11][C:12](=[O:14])[N:15]2[c:16]3[c:17]([cH:22][cH:23][cH:24][cH:25]3)[CH2:18][CH2:19][CH2:20][CH2:21]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

참가 물질

반응물 2

HCID 805252-(2-Benzothiazolylthio)acetic acid

HCID 5765032,3,4,5-tetrahydro-1H-1-benzazepine

생성물 1

HCID 594678992-(Benzothiazol-2-ylsulfanyl)-1-(2,3,4,5-tetrahydro-benzo[b]-azepin-1-yl)-ethanone

출처 및 근거

ORD 기록: ord-fcc9f88d16134ade87c486b346c07c72
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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