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Acetic Acid → tert-butyl (1-(2-(5-bromo-7-methoxy-2-oxoquinolin-1(2H)-yl)ethyl)piperidin-4-yl)(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate

HRID 2155541
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인쇄 미리보기

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HRID 2155541 반응식
[Br:26][c:27]1[c:28]2[cH:29][cH:30][c:31](=[O:42])[n:32]([CH2:39][CH:40]=[O:41])[c:33]2[cH:34][c:35]([O:37][CH3:38])[cH:36]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1)[CH2:14][c:15]1[cH:16][c:17]2[c:18]([cH:23][cH:24]1)[O:19][CH2:20][CH2:21][O:22]2)=[O:25].[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[C:57](=[O:58])([O-:59])[OH:60].[CH3:66][C:67](=[O:68])[OH:69].[CH:62]([Cl:63])([Cl:64])[Cl:65].[Cl:70][CH2:71][Cl:72].[Na+:56].[Na+:61]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH:8]1[CH2:9][CH2:10][N:11]([CH2:40][CH2:39][n:32]2[c:31](=[O:42])[cH:30][cH:29][c:28]3[c:27]([Br:26])[cH:36][c:35]([O:37][CH3:38])[cH:34][c:33]32)[CH2:12][CH2:13]1)[CH2:14][c:15]1[cH:16][c:17]2[c:18]([cH:23][cH:24]1)[O:19][CH2:20][CH2:21][O:22]2)=[O:25]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 6212ChloroformHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 57815320Tert-butyl (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(piperidin-4-yl)carbamate
HCID 59398112
(5-bromo-7-methoxy-2-oxoquinolin-1(2H)-yl)acetaldehyde

생성물 1

HCID 59397948tert-butyl (1-(2-(5-bromo-7-methoxy-2-oxoquinolin-1(2H)-yl)ethyl)piperidin-4-yl)(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate

출처 및 근거

ORD 기록
ord-63c8ff0aacca4465979e205aabee1b24
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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