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Sodium Ion → cis-4-{[4-chloro-6-(methylamino)-2-pyrimidinyl]amino}-N-{[2-(trifluoromethyl)phenyl]methyl}cyclohexanecarboxamide

HRID 105631
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반응식

HRID 105631 반응식
[CH3:41][C:42]#[N:43].[Cl:1][c:2]1[n:3][c:4]([Cl:10])[cH:5][c:6]([NH:8][CH3:9])[n:7]1.[NH2:11][CH:12]1[CH2:13][CH2:14][CH:15]([C:18](=[O:19])[NH:20][CH2:21][c:22]2[c:23]([C:28]([F:29])([F:30])[F:31])[cH:24][cH:25][cH:26][cH:27]2)[CH2:16][CH2:17]1.[Na+:40].[O-:32][C:33]([C:34]([F:35])([F:36])[F:37])=[O:38].[OH-:39].[OH2:44]>>[c:2]1([NH:11][CH:12]2[CH2:13][CH2:14][CH:15]([C:18](=[O:19])[NH:20][CH2:21][c:22]3[c:23]([C:28]([F:29])([F:30])[F:31])[cH:24][cH:25][cH:26][cH:27]3)[CH2:16][CH2:17]2)[n:3][c:4]([Cl:10])[cH:5][c:6]([NH:8][CH3:9])[n:7]1
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참가 물질

8

반응물 7

HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 6342AcetonitrileHCID 84468TrifluoroacetateHCID 155636442,6-Dichloro-N-methylpyrimidin-4-amineHCID 59242499cis-4-amino-N-{[2-(trifluoromethyl)phenyl]methyl}cyclohexanecarboxamide

생성물 1

HCID 86640079cis-4-{[4-chloro-6-(methylamino)-2-pyrimidinyl]amino}-N-{[2-(trifluoromethyl)phenyl]methyl}cyclohexanecarboxamide

출처 및 근거

ORD 기록
ord-26058d91528c4163aa8031229c8e7e5a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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