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Hydrochloric Acid → 4-(4-cyclopropylpiperazin-1-yl)-N-[5-[(3,5-dimethoxyphenyl)methoxy]-2H-pyrazol-3-yl]benzamide

HRID 1137350
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HRID 1137350 반응식
[CH3:22][O:23][c:24]1[cH:25][c:26]([CH2:32][O:33][c:34]2[cH:35][c:36]([NH2:39])[nH:37][n:38]2)[cH:27][c:28]([O:30][CH3:31])[cH:29]1.[CH3:40][Al:41]([CH3:42])[CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH:1]1([N:4]2[CH2:5][CH2:6][N:7]([c:10]3[cH:11][cH:12][c:13]([C:14]([O:16][CH2:15][CH3:17])=[O:18])[cH:19][cH:20]3)[CH2:8][CH2:9]2)[CH2:2][CH2:3]1.[ClH:21]>>[CH:1]1([N:4]2[CH2:5][CH2:6][N:7]([c:10]3[cH:11][cH:12][c:13]([C:14](=[O:16])[NH:39][c:36]4[cH:35][c:34]([O:33][CH2:32][c:26]5[cH:25][c:24]([O:23][CH3:22])[cH:29][c:28]([O:30][CH3:31])[cH:27]5)[n:38][nH:37]4)[cH:19][cH:20]3)[CH2:8][CH2:9]2)[CH2:2][CH2:3]1
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 5

HCID 313Hydrochloric AcidHCID 1140TolueneHCID 16682925TrimethylaluminumHCID 574403815-[(3,5-dimethoxyphenyl)methoxy]-2H-pyrazol-3-amineHCID 57440407Ethyl 4-(4-cyclopropylpiperazin-1-yl)benzoate

생성물 1

HCID 665897014-(4-cyclopropylpiperazin-1-yl)-N-[5-[(3,5-dimethoxyphenyl)methoxy]-2H-pyrazol-3-yl]benzamide

출처 및 근거

ORD 기록
ord-e5bf2d9332b941c3a9796a5d288d9d54
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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