1-Phenylcyclopentanecarboxylic acid → N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-1-phenylcyclopentanecarboxamide

HRID 296029

반응식

HRID 296029 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[s:6][c:7](=[NH:14])[c:8]([CH2:10][CH2:11][CH2:12][CH3:13])[cH:9]1.[c:15]1([C:21]2([C:26](=[O:27])[OH:28])[CH2:22][CH2:23][CH2:24][CH2:25]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[s:6][c:7](=[N:14][C:26]([C:21]2([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[CH2:22][CH2:23][CH2:24][CH2:25]2)=[O:27])[c:8]([CH2:10][CH2:11][CH2:12][CH3:13])[cH:9]1

참가 물질

3

반응물 2

HCID 661671-Phenylcyclopentanecarboxylic acidHCID 668672282-tert-Butyl-4-butylisothiazol-5(2H)-imine

생성물 1

HCID 66868472N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-1-phenylcyclopentanecarboxamide

출처 및 근거

ORD 기록
ord-457417cd63cc4bdf9cd5e39999793210
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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