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Hydrochloric Acid → N4-{4-[(3-Ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorophenyl}-6-(trifluoromethyl)pyrimidine-2,4-diamine

HRID 167608
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HRID 167608 반응식
[CH2:1]([CH3:2])[c:3]1[cH:4][nH:5][c:6]2[n:7][cH:8][cH:9][c:10]([O:12][c:13]3[c:14]([F:20])[cH:15][c:16]([NH2:17])[cH:18][cH:19]3)[c:11]12.[Cl:22][c:23]1[n:24][c:25]([NH2:33])[n:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1.[ClH:21].[Na+:35].[OH-:34].[OH2:36]>>[CH2:1]([CH3:2])[c:3]1[cH:4][nH:5][c:6]2[n:7][cH:8][cH:9][c:10]([O:12][c:13]3[c:14]([F:20])[cH:15][c:16]([NH:17][c:23]4[n:24][c:25]([NH2:33])[n:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]4)[cH:18][cH:19]3)[c:11]12
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참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 130869074-Chloro-6-(trifluoromethyl)pyrimidin-2-amineHCID 597410004-[(3-Ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluoroaniline

생성물 1

HCID 11502907N4-{4-[(3-Ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorophenyl}-6-(trifluoromethyl)pyrimidine-2,4-diamine

출처 및 근거

ORD 기록
ord-39c49485a7bb485ba73cb8fb8dfbbdba
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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