4-Phenoxybenzoic acid → N-[(4s)-1-Azatricyclo[3.3.1.13,7]dec-4-yl]-4-phenoxybenzamide

HRID 87317

반응식

HRID 87317 반응식
[N:1]12[CH2:2][CH:3]3[CH:4]([NH2:11])[CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[O:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]1>>[N:1]12[CH2:2][CH:3]3[CH:4]([NH:11][C:23]([c:22]4[cH:21][cH:20][c:19]([O:12][c:13]5[cH:14][cH:15][cH:16][cH:17][cH:18]5)[cH:27][cH:26]4)=[O:24])[CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2

참가 물질

3

반응물 2

HCID 751824-Phenoxybenzoic acidHCID 156866181-Azatricyclo[3.3.1.1,3,7]decan-4-amine

생성물 1

HCID 16068053N-[(4s)-1-Azatricyclo[3.3.1.13,7]dec-4-yl]-4-phenoxybenzamide

출처 및 근거

ORD 기록
ord-15ed618b5080472fb11df23ba7503013
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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