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Hydrochloric Acid → Tert-butyl 4-(3-cyanobenzoyl)piperazine-1-carboxylate

HRID 182915
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반응식

HRID 182915 반응식
[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37](=[O:38])[N:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1.[C:45](#[N:46])[c:47]1[cH:48][c:49]([C:50](=[O:51])[OH:52])[cH:53][cH:54][cH:55]1.[CH3:20][CH2:21][N:22]=[C:23]=[N:24][CH2:25][CH2:26][CH2:27][N:28]([CH3:29])[CH3:30].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:31].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:61].[OH:10][n:11]1[c:12]2[c:13]([cH:14][cH:15][cH:16][cH:17]2)[n:18][n:19]1>>[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37](=[O:38])[N:39]1[CH2:40][CH2:41][N:42]([C:50]([c:49]2[cH:48][c:47]([C:45]#[N:46])[cH:55][cH:54][cH:53]2)=[O:51])[CH2:43][CH2:44]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 158753-Cyanobenzoic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531Diisopropylethylamine
HCID 143452
tert-Butyl piperazine-1-carboxylate

생성물 1

HCID 31517243Tert-butyl 4-(3-cyanobenzoyl)piperazine-1-carboxylate

출처 및 근거

ORD 기록
ord-5517a5b13ff34af4972d0d581d1bdba4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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