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Ammonia → 4-(Dimethylaminomethylene-thiocarbamoyl)-piperazine-1-carboxylic acid tert-butyl ester

HRID 102351
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HRID 102351 반응식
[C:38]([n:39]1[cH:40][cH:41][n:42][cH:43]1)([n:44]1[cH:45][cH:46][n:47][cH:48]1)=[S:49].[C:9]([CH3:10])([CH3:11])([CH3:12])[O:13][C:14](=[O:15])[N:16]1[CH2:17][CH2:18][N:19]([C:22]([NH2:23])=[S:24])[CH2:20][CH2:21]1.[CH3:1][O:2][CH:3]([N:4]([CH3:5])[CH3:6])[O:7][CH3:8].[N:25]1([C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[NH3:50]>>[CH:3]([N:4]([CH3:5])[CH3:6])=[N:23][C:22]([N:19]1[CH2:18][CH2:17][N:16]([C:14]([O:13][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:15])[CH2:21][CH2:20]1)=[S:24]
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반응물 5

HCID 222AmmoniaHCID 78373Dimethylformamide dimethyl acetalHCID 802641,1'-ThiocarbonyldiimidazoleHCID 143452tert-Butyl piperazine-1-carboxylateHCID 12093220tert-Butyl 4-carbamothioylpiperazine-1-carboxylate

생성물 1

HCID 866067744-(Dimethylaminomethylene-thiocarbamoyl)-piperazine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-8d374bc903c04469a46a37869b9f74b9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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