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Bicarbonate Ion → N-(3-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino}-4-methylphenyl)-2-chloro-3-(trifluoromethyl)benzamide

HRID 170276
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HRID 170276 반응식
[C:61](=[O:62])([O-:63])[OH:64].[Cl:23][c:24]1[c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30][cH:31][c:32]1[C:33]([F:34])([F:35])[F:36].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:22])[c:6]([NH:8][c:9]2[n:10][cH:11][c:12]3[c:13]([n:14]2)[s:15][c:16]([NH:18][C:19]([CH3:20])=[O:21])[n:17]3)[cH:7]1.[Na+:65].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[cH:66]1[cH:67][cH:68][n:69][cH:70][cH:71]1.[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH3:22])[c:6]([NH:8][c:9]2[n:10][cH:11][c:12]3[c:13]([n:14]2)[s:15][c:16]([NH:18][C:19]([CH3:20])=[O:21])[n:17]3)[cH:7]1)[C:26]([c:25]1[c:24]([Cl:23])[c:32]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:30][cH:29]1)=[O:27]
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참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 1049PyridineHCID 9886HexafluorophosphateHCID 27366772-Chloro-3-(trifluoromethyl)benzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 86646095
N-{5-[(5-amino-2-methylphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-2-yl}acetamide

생성물 1

HCID 59506927N-(3-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino}-4-methylphenyl)-2-chloro-3-(trifluoromethyl)benzamide

출처 및 근거

ORD 기록
ord-b6b3b9a41ab94ddd8273ee08b94c5cea
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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