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Hydrochloric Acid → [3-(4-{[(phenylamino)carbonyl]amino}phenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]acetic acid

HRID 674865
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반응식

HRID 674865 반응식
[CH3:39][CH2:40][OH:41].[ClH:29].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][n:12]([CH2:24][C:25](=[O:26])[OH:27])[cH:13][c:14]2-[c:15]2[c:16]3[c:17]([n:18][cH:19][cH:20]2)[nH:21][cH:22][cH:23]3)[cH:8][cH:9]1.[O:30]=[C:31]=[N:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Sn:28]>>[NH:1]([c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][n:12]([CH2:24][C:25](=[O:26])[OH:27])[cH:13][c:14]2-[c:15]2[c:16]3[c:17]([n:18][cH:19][cH:20]2)[nH:21][cH:22][cH:23]3)[cH:8][cH:9]1)[C:31](=[O:30])[NH:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1
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참가 물질

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반응물 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 7672Phenyl isocyanateHCID 5352426Tin atomHCID 68996956[3-(4-nitrophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]acetic acid

생성물 1

HCID 68996013[3-(4-{[(phenylamino)carbonyl]amino}phenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]acetic acid

출처 및 근거

ORD 기록
ord-034388be92e44b71a62665870d0e11f1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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