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Acetonitrile → Chloride

HRID 196299
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HRID 196299 반응식
[CH3:37][C:38]#[N:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH3:46][CH2:47][CH2:48][CH:49]([CH3:50])[CH3:51].[Cl:25][CH2:26][C:27](=[O:28])[NH:29][c:30]1[cH:31][n:32][c:33]([CH3:36])[cH:34][cH:35]1.[N:1]12[CH2:2][CH:3]([O:9][C:10](=[O:11])[C:12]3([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]3)[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2>>[Cl-:25].[N+:1]12([CH2:26][C:27](=[O:28])[NH:29][c:30]3[cH:31][n:32][c:33]([CH3:36])[cH:34][cH:35]3)[CH2:2][CH:3]([O:9][C:10](=[O:11])[C:12]3([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]3)[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 6342AcetonitrileHCID 78922-MethylpentaneHCID 8857Ethyl AcetateHCID 668858941-Azabicyclo[2.2.2]octan-3-yl 1-phenylcycloheptane-1-carboxylateHCID 670280112-Chloro-N-(6-methyl-pyridin-3-yl)-acetamide

생성물 2

HCID 312Chloride
HCID 76007358
[1-[2-[(6-Methyl-3-pyridinyl)amino]-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate

출처 및 근거

ORD 기록
ord-6fe3acd421e849a9af410fb38ebe1be9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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