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Hydrochloric Acid → N-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-5-[(3-hydroxypropanoyl)amino]-1H-indole-2-carboxamide

HRID 205768
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HRID 205768 반응식
[Cl:1][c:2]1[c:3]([O:32][c:33]2[cH:34][c:35]([Cl:41])[cH:36][c:37]([C:39]#[N:40])[cH:38]2)[c:4]([F:31])[c:5]([CH2:8][NH:9][C:10](=[O:11])[c:12]2[nH:13][c:14]3[cH:15][cH:16][c:17]([NH:21][C:22]([CH2:23][CH2:24][O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[cH:18][c:19]3[cH:20]2)[cH:6][cH:7]1.[ClH:42].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1>>[Cl:1][c:2]1[c:3]([O:32][c:33]2[cH:34][c:35]([Cl:41])[cH:36][c:37]([C:39]#[N:40])[cH:38]2)[c:4]([F:31])[c:5]([CH2:8][NH:9][C:10](=[O:11])[c:12]2[nH:13][c:14]3[cH:15][cH:16][c:17]([NH:21][C:22]([CH2:23][CH2:24][OH:25])=[O:30])[cH:18][c:19]3[cH:20]2)[cH:6][cH:7]1
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반응물 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 59451555N-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-5-({3-[(1,1-dimethylethyl)oxy]propanoyl}amino)-1H-indole-2-carboxamide

생성물 1

HCID 59451632N-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-5-[(3-hydroxypropanoyl)amino]-1H-indole-2-carboxamide

출처 및 근거

ORD 기록
ord-ce985268e8a948848f74f73513df60e3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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