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Acetic Acid → 5-[4-(2-Hydroxy-ethanoyl)-piperazin-1-ylmethyl]-2-(2-oxo-1,2-dihydro-quinolin-3-yl)-indole-1-carboxylic acid tert-butyl ester

HRID 943470
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HRID 943470 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:19]2[c:20](=[O:29])[nH:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[cH:28]2)[cH:10][c:11]2[cH:12][c:13]([CH:17]=[O:18])[cH:14][cH:15][c:16]12.[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH3:65][C:66](=[O:67])[OH:68].[Cl:61][CH:62]([Cl:63])[CH3:64].[H-:60].[Mg+2:54].[Na+:53].[O-:55][S:56]([O-:57])(=[O:58])=[O:59].[OH:30][CH2:31][C:32](=[O:33])[N:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:19]2[c:20](=[O:29])[nH:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[cH:28]2)[cH:10][c:11]2[cH:12][c:13]([CH2:17][N:37]3[CH2:36][CH2:35][N:34]([C:32]([CH2:31][OH:30])=[O:33])[CH2:39][CH2:38]3)[cH:14][cH:15][c:16]12
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 176Acetic AcidHCID 888Magnesium CationHCID 923Sodium IonHCID 1117Sulfate IonHCID 63651,1-DichloroethaneHCID 166653HydrideHCID 2724942Triacetoxyborohydride
HCID 12111689
5-Formyl-2-(2-oxo-1,2-dihydro-quinolin-3-yl)-indole-1-carboxylic acid tert-butyl ester
HCID 185068842-Hydroxy-1-(piperazin-1-yl)ethan-1-one

생성물 1

HCID 206073155-[4-(2-Hydroxy-ethanoyl)-piperazin-1-ylmethyl]-2-(2-oxo-1,2-dihydro-quinolin-3-yl)-indole-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-2d26b50947e54a61a612a2df6a20e86b
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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