1-(3-Bromopropoxy)-3-nitrobenzene → Bromide ion

HRID 141017

반응식

HRID 141017 반응식
[N+:23](=[O:24])([O-:25])[c:26]1[cH:27][c:28]([O:32][CH2:33][CH2:34][CH2:35][Br:36])[cH:29][cH:30][cH:31]1.[N:1]12[CH2:2][CH2:3][C:4]([C:9]([OH:10])([c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([CH2:5][CH2:6]1)[CH2:7][CH2:8]2>>[Br-:36].[N+:1]12([CH2:35][CH2:34][CH2:33][O:32][c:28]3[cH:27][c:26]([N+:23](=[O:24])[O-:25])[cH:31][cH:30][cH:29]3)[CH2:2][CH2:3][C:4]([C:9]([OH:10])([c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([CH2:5][CH2:6]1)[CH2:7][CH2:8]2

참가 물질

4

반응물 2

HCID 71723011-(3-Bromopropoxy)-3-nitrobenzeneHCID 239923851-Azabicyclo[2.2.2]oct-4-yl(diphenyl)methanol

생성물 2

HCID 259Bromide ionHCID 11570307[1-[3-(3-Nitrophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol

출처 및 근거

ORD 기록
ord-48ead7feaac64446b7b9eb02bca10189
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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