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Acetone → 3-[1-(ethylsulfonyl)-4-piperidinyl]-5-[2-(1-methylethyl)-2,3-dihydro-1H-isoindol-5-yl]-1H-indole-7-carboxamide

HRID 681063
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HRID 681063 반응식
[C:37]([BH3-:38])#[N:39].[CH2:1]1[NH:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[cH:11][c:12]4[c:13]([CH:22]5[CH2:23][CH2:24][N:25]([S:28](=[O:29])(=[O:30])[CH2:31][CH3:32])[CH2:26][CH2:27]5)[cH:14][nH:15][c:16]4[c:17]([C:19](=[O:20])[NH2:21])[cH:18]3)[cH:7][cH:8][c:9]21.[CH3:33][C:34]([CH3:35])=[O:36].[CH3:41][OH:42].[Cl-:43].[Cl-:45].[Na+:40].[Zn+2:44]>>[CH2:1]1[N:2]([CH:34]([CH3:33])[CH3:35])[CH2:3][c:4]2[cH:5][c:6](-[c:10]3[cH:11][c:12]4[c:13]([CH:22]5[CH2:23][CH2:24][N:25]([S:28](=[O:29])(=[O:30])[CH2:31][CH3:32])[CH2:26][CH2:27]5)[cH:14][nH:15][c:16]4[c:17]([C:19](=[O:20])[NH2:21])[cH:18]3)[cH:7][cH:8][c:9]21
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 180AcetoneHCID 312Chloride2회HCID 887MethanolHCID 923Sodium IonHCID 32051Zinc(2+)HCID 498716Cyano-borohydrideHCID 426304965-(2,3-dihydro-1H-isoindol-5-yl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide

생성물

1
HCID 426304983-[1-(ethylsulfonyl)-4-piperidinyl]-5-[2-(1-methylethyl)-2,3-dihydro-1H-isoindol-5-yl]-1H-indole-7-carboxamide

출처 및 근거

ORD 기록
ord-5672fb4b2db449458a09d390f7b1376a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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