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Hydrochloric Acid → 1-[4-[4-[2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone

HRID 663047
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HRID 663047 반응식
[CH2:34]([N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43])[CH3:44].[CH3:26][N:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1.[CH3:56][O:57][CH2:58][CH2:59][O:60][CH2:61][C:62](=[O:63])[OH:64].[ClH:33].[OH2:45].[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1.[nH:1]1[n:2][c:3]([CH:10]=[CH:11][c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[N:18]3[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]3)[cH:24][cH:25]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[n:2][c:3]([CH:10]=[CH:11][c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[N:18]3[CH2:19][CH2:20][N:21]([C:62]([CH2:61][O:60][CH2:59][CH2:58][O:57][CH3:56])=[O:63])[CH2:22][CH2:23]3)[cH:24][cH:25]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 27642(2-Methoxyethoxy)acetic acidHCID 757711-HydroxybenzotriazoleHCID 67089852[4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-(1-piperazinyl)methanone

생성물 1

HCID 670907061-[4-[4-[2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone

출처 및 근거

ORD 기록
ord-ec371f67f0284446a9a0c1e8f8fb09e0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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