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1-Butanol → 1-(2-(4-(4-acetylpiperazin-1-yl)phenylamino)-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

HRID 200878
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HRID 200878 반응식
[CH2:51]([OH:52])[CH2:53][CH2:54][CH3:55].[CH3:46][Si:47]([Cl:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[n:3][c:4]([N:21]2[CH2:22][CH:23]([C:27](=[O:28])[NH2:29])[CH2:24][CH2:25][CH2:26]2)[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:18])[cH:19][cH:20]1)[cH:9][cH:10]2.[NH2:30][c:31]1[cH:32][cH:33][c:34]([N:37]2[CH2:38][CH2:39][N:40]([C:43]([CH3:44])=[O:45])[CH2:41][CH2:42]2)[cH:35][cH:36]1>>[c:2]1([NH:30][c:31]2[cH:32][cH:33][c:34]([N:37]3[CH2:38][CH2:39][N:40]([C:43]([CH3:44])=[O:45])[CH2:41][CH2:42]3)[cH:35][cH:36]2)[n:3][c:4]([N:21]2[CH2:22][CH:23]([C:27](=[O:28])[NH2:29])[CH2:24][CH2:25][CH2:26]2)[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:18])[cH:19][cH:20]1)[cH:9][cH:10]2
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 2631-ButanolHCID 6397ChlorotrimethylsilaneHCID 7362691-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-oneHCID 579904311-(2-chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

생성물 1

HCID 579903741-(2-(4-(4-acetylpiperazin-1-yl)phenylamino)-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

출처 및 근거

ORD 기록
ord-a7513ddc4852455691c7930c21a79ea6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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