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Hydrochloric Acid → 1-[3-(4-Chlorophenyl)-2-(2-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3-ethylaminoazetidine-3-carboxylic Acid Amide

HRID 691204
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HRID 691204 반응식
[CH2:36]([CH3:37])[NH:38][C:39]1([C:43](=[O:44])[NH2:45])[CH2:40][NH:41][CH2:42]1.[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:52][OH:53].[CH:27]([N:28]([CH:29]([CH3:30])[CH3:31])[CH2:32][CH3:33])([CH3:34])[CH3:35].[Cl:1][c:2]1[c:3]([CH3:26])[c:4]([CH3:25])[n:5][c:6]2[n:7]1[n:8][c:9](-[c:18]1[c:19]([Cl:24])[cH:20][cH:21][cH:22][cH:23]1)[c:10]2-[c:11]1[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1.[ClH:46]>>[c:2]1([N:41]2[CH2:40][C:39]([NH:38][CH2:36][CH3:37])([C:43](=[O:44])[NH2:45])[CH2:42]2)[c:3]([CH3:26])[c:4]([CH3:25])[n:5][c:6]2[n:7]1[n:8][c:9](-[c:18]1[c:19]([Cl:24])[cH:20][cH:21][cH:22][cH:23]1)[c:10]2-[c:11]1[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1
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HCID 313Hydrochloric AcidHCID 887MethanolHCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 112865313-(Ethylamino)azetidine-3-carboxamideHCID 210837207-Chloro-3-(4-chlorophenyl)-2-(2-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine

생성물 1

HCID 10346205
1-[3-(4-Chlorophenyl)-2-(2-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3-ethylaminoazetidine-3-carboxylic Acid Amide

출처 및 근거

ORD 기록
ord-f5a7c437afc44a3b9e938d9e33235eed
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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