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Water → {4-[4-(Octahydro-quinoline-1-carbonyl)-thiophen-2-yl]-pyrazol-1-yl}-acetic acid ethyl ester

HRID 2156984
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HRID 2156984 반응식
[Br:1][c:2]1[cH:3][c:4]([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][CH2:12][CH:13]3[CH2:14][CH2:15][CH2:16][CH2:17][CH:18]23)[cH:5][s:6]1.[C:19](=[O:20])([O-:21])[O-:22].[CH2:25]([CH3:26])[O:27][C:28]([CH2:29][n:30]1[n:31][cH:32][c:33]([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)[cH:34]1)=[O:44].[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[Cs+:23].[Cs+:24].[OH2:51].[Pd:128].[c:109]1([P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124][cH:125][cH:126][cH:127]1.[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[c:2]1(-[c:33]2[cH:32][n:31][n:30]([CH2:29][C:28]([O:27][CH2:25][CH3:26])=[O:44])[cH:34]2)[cH:3][c:4]([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][CH2:12][CH:13]3[CH2:14][CH2:15][CH2:16][CH2:17][CH:18]23)[cH:5][s:6]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 11776Triphenylphosphine4회HCID 19660Carbonate IonHCID 23938PalladiumHCID 104967Cesium cation2회HCID 162183851-(Ethoxycarbonylmethyl)-1H-pyrazole-4-boronic acid pinacol ester
HCID 43424594
(5-Bromo-thiophen-3-yl)-(octahydro-quinolin-1-yl)-methanone

생성물 1

HCID 58110350{4-[4-(Octahydro-quinoline-1-carbonyl)-thiophen-2-yl]-pyrazol-1-yl}-acetic acid ethyl ester

출처 및 근거

ORD 기록
ord-2c0b416e40e648c9bc9ae5e276deb58c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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