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Hydrochloric Acid → 3-(4-(Cyclopropanecarbonyl)piperazine-1-carbonyl)benzaldehyde

HRID 297605
노트
인쇄 미리보기

반응식

HRID 297605 반응식
[CH2:30]([N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39])[CH3:40].[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[CH:1](=[O:2])[c:3]1[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10][cH:11]1.[CH:42]1([C:45](=[O:46])[N:47]2[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]2)[CH2:43][CH2:44]1.[Cl:53][CH2:54][Cl:55].[ClH:29].[ClH:41].[OH:19][n:20]1[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[n:27][n:28]1>>[CH:1](=[O:2])[c:3]1[cH:4][c:5]([C:6](=[O:8])[N:50]2[CH2:49][CH2:48][N:47]([C:45]([CH:42]3[CH2:43][CH2:44]3)=[O:46])[CH2:52][CH2:51]2)[cH:9][cH:10][cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 6344DichloromethaneHCID 8471TriethylamineHCID 120773-CarboxybenzaldehydeHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 20642351-(Cyclopropylcarbonyl)piperazine

생성물 1

HCID 866390323-(4-(Cyclopropanecarbonyl)piperazine-1-carbonyl)benzaldehyde

출처 및 근거

ORD 기록
ord-22a398a62f88425ebaa211f89973e3f6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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