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Pyridine → 3-tert-butoxy-N-[3-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-4-methylphenyl]benzamide

HRID 1221849
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HRID 1221849 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][cH:14]1.[NH2:39][c:40]1[cH:41][cH:42][c:43]([CH3:62])[c:44]([O:45][c:46]2[cH:47][cH:48][c:49]3[c:50]([n:51]2)[s:52][c:53]([NH:55][C:56](=[O:57])[CH:58]2[CH2:59][CH2:60]2)[n:54]3)[cH:61]1.[P-:15]([F:16])([F:17])([F:18])([F:19])([F:20])[F:21].[cH:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1.[n:22]1([O:23][C:24]([N:25]([CH3:26])[CH3:27])=[N+:28]([CH3:29])[CH3:30])[c:31]2[n:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][c:6]1[cH:7][c:8]([C:9](=[O:11])[NH:39][c:40]2[cH:41][cH:42][c:43]([CH3:62])[c:44]([O:45][c:46]3[cH:47][cH:48][c:49]4[c:50]([n:51]3)[s:52][c:53]([NH:55][C:56](=[O:57])[CH:58]3[CH2:59][CH2:60]3)[n:54]4)[cH:61]2)[cH:12][cH:13][cH:14]1
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반응물 5

HCID 1049PyridineHCID 9886HexafluorophosphateHCID 5865983-(Tert-butoxy)benzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58451281HCID 58451281, 화합물

생성물 1

HCID 59506993
3-tert-butoxy-N-[3-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-4-methylphenyl]benzamide

출처 및 근거

ORD 기록
ord-cd4644996b8f4f8cadda9e72ad8722c3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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