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

HRID 682719
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HRID 682719 반응식
[C:60](=[O:61])([O-:62])[OH:63].[F:23][CH:24]([O:25][c:26]1[cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:32][cH:33][cH:34]1)[F:35].[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+:64].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[cH:65]1[cH:66][cH:67][n:68][cH:69][cH:70]1.[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]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:29]([c:28]1[cH:27][c:26]([O:25][CH:24]([F:23])[F:35])[cH:34][cH:33][cH:32]1)=[O:30]
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참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 1049PyridineHCID 9886HexafluorophosphateHCID 8426143-(Difluoromethoxy)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 59506946N-(3-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino}-4-methylphenyl)-3-(difluoromethoxy)benzamide

출처 및 근거

ORD 기록
ord-72305d18f76f4f76b15ea5bbae9cf69c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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