1-Azabicyclo[2.2.2]octan-3-yl 1-phenylcyclohexane-1-carboxylate → Bromide ion

반응식

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

참가 물질

반응물 2

HCID 1625711-Azabicyclo[2.2.2]octan-3-yl 1-phenylcyclohexane-1-carboxylate

HCID 445426692-bromo-N-(pyrazin-2-yl)acetamide

생성물 2

HCID 259Bromide ion

HCID 178521152[1-[2-oxo-2-(pyrazin-2-ylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcyclohexane-1-carboxylate

출처 및 근거

ORD 기록: ord-2c0de014c6b5445098b32a643c299e09
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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