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Potassium Cation → Ethyl 4-{1-[2-(3-chlorophenyl)-2H-tetrazol-5-yl]ethyl}piperazine-1-carboxylate

HRID 138777
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HRID 138777 반응식
[C:20](=[O:21])([O-:22])[O-:23].[CH2:26]([CH3:27])[O:28][C:29](=[O:30])[N:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1.[CH3:37][C:38]#[N:39].[Cl:1][c:2]1[cH:3][c:4](-[n:8]2[n:9][c:10]([CH:13]([CH3:14])[O:15][S:16]([CH3:17])(=[O:18])=[O:19])[n:11][n:12]2)[cH:5][cH:6][cH:7]1.[K+:24].[K+:25]>>[Cl:1][c:2]1[cH:3][c:4](-[n:8]2[n:9][c:10]([CH:13]([CH3:14])[N:34]3[CH2:33][CH2:32][N:31]([C:29]([O:28][CH2:26][CH3:27])=[O:30])[CH2:36][CH2:35]3)[n:11][n:12]2)[cH:5][cH:6][cH:7]1
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반응물 5

HCID 813Potassium Cation2회HCID 6342AcetonitrileHCID 84311-Piperazinecarboxylic acid, ethyl esterHCID 19660Carbonate IonHCID 75292157methanesulfonic acid 1-[2-(3-chlorophenyl)-2H-tetrazol-5-yl]-ethyl ester

생성물 1

HCID 68429673Ethyl 4-{1-[2-(3-chlorophenyl)-2H-tetrazol-5-yl]ethyl}piperazine-1-carboxylate

출처 및 근거

ORD 기록
ord-e89d80d6c4904dba88119b9bc9b2e972
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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