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

HRID 317776
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HRID 317776 반응식
[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21]([N:22]([CH:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1)[CH2:29][c:30]1[cH:31][c:32]2[c:33]([cH:38][cH:39]1)[O:34][CH2:35][CH2:36][O:37]2)=[O:40].[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[C:55](=[O:56])([O-:57])[OH:58].[CH3:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][cH:7][c:8](=[O:15])[n:9]([CH2:12][CH:13]=[O:14])[c:10]2[cH:11]1.[CH3:65][C:66](=[O:67])[OH:68].[CH:60]([Cl:61])([Cl:62])[Cl:63].[Cl:69][CH2:70][Cl:71].[Na+:54].[Na+:59].[OH2:64]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][cH:7][c:8](=[O:15])[n:9]([CH2:12][CH2:13][N:26]3[CH2:25][CH2:24][CH:23]([N:22]([C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:40])[CH2:29][c:30]4[cH:31][c:32]5[c:33]([cH:38][cH:39]4)[O:34][CH2:35][CH2:36][O:37]5)[CH2:28][CH2:27]3)[c:10]2[cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 962WaterHCID 6212ChloroformHCID 6344DichloromethaneHCID 2724942Triacetoxyborohydride
HCID 57815320
Tert-butyl (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(piperidin-4-yl)carbamate
HCID 59398276(7-methyl-2-oxoquinolin-1(2H)-yl)acetaldehyde

생성물 1

HCID 59398272tert-butyl (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(1-(2-(7-methyl-2-oxoquinolin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate

출처 및 근거

ORD 기록
ord-7095c787f2574d08920434d9efee55a9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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