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Acetate → [1-(6-Chloro-pyridin-3-yl)-5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(1,1-dioxothiomorpholin-4-yl)-methanone

HRID 304671
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HRID 304671 반응식
[C:41]([O-:42])(=[O:43])[CH3:44].[C:46]([O-:47])(=[O:48])[CH3:49].[Cl:31][c:32]1[n:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1.[Cu+2:45].[O:1]=[S:2]1(=[O:30])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[nH:11][c:12]3[cH:13][cH:14][c:15]([C:19](=[O:20])[N:21]4[CH2:22][CH2:23][N:24]([CH:27]([CH3:28])[CH3:29])[CH2:25][CH2:26]4)[cH:16][c:17]3[cH:18]2)[CH2:6][CH2:7]1.[cH:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1>>[O:1]=[S:2]1(=[O:30])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[n:11](-[c:35]3[cH:34][n:33][c:32]([Cl:31])[cH:37][cH:36]3)[c:12]3[cH:13][cH:14][c:15]([C:19](=[O:20])[N:21]4[CH2:22][CH2:23][N:24]([CH:27]([CH3:28])[CH3:29])[CH2:25][CH2:26]4)[cH:16][c:17]3[cH:18]2)[CH2:6][CH2:7]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 175Acetate2회HCID 1049PyridineHCID 27099Cupric cationHCID 38450342-Chloropyridine-5-boronic acidHCID 68681206[2-(1,1-Dioxo-thiomorpholine-4-carbonyl)-1H-indol-5-yl]-(4-isopropyl-piperazin-1-yl)-methanone

생성물 1

HCID 86615820
[1-(6-Chloro-pyridin-3-yl)-5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(1,1-dioxothiomorpholin-4-yl)-methanone

출처 및 근거

ORD 기록
ord-60c52c43f1cd45eba597c8c528b28f97
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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