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Hydrochloric Acid → 1-(3-{6-[2-(2,4-Dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-phenyl)-cyclopentanecarboxylic acid

HRID 94522
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HRID 94522 반응식
[C:21](=[O:22])([OH:23])[C:24]1([c:29]2[cH:30][c:31]([B:35]([OH:36])[OH:37])[cH:32][cH:33][cH:34]2)[CH2:25][CH2:26][CH2:27][CH2:28]1.[C:38](=[O:39])([O-:40])[O-:41].[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[Cl:1][c:2]1[cH:3][c:4]([NH:10][CH2:11][CH2:12][c:13]2[c:14]([Cl:20])[cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[n:5][c:6]([O:8][CH3:9])[n:7]1.[ClH:44].[Cs+:42].[Cs+:43].[OH2:51].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[c:2]1(-[c:31]2[cH:30][c:29]([C:24]3([C:21](=[O:22])[OH:23])[CH2:25][CH2:26][CH2:27][CH2:28]3)[cH:34][cH:33][cH:32]2)[cH:3][c:4]([NH:10][CH2:11][CH2:12][c:13]2[c:14]([Cl:20])[cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[n:5][c:6]([O:8][CH3:9])[n:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 576360046-Chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-4-pyrimidinamineHCID 690700543-(1-Carboxy-cyclopentyl)-phenylboronic acid
HCID 178420554HCID 178420554, 화합물

생성물 1

HCID 533165751-(3-{6-[2-(2,4-Dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-phenyl)-cyclopentanecarboxylic acid

출처 및 근거

ORD 기록
ord-ed41a5cbe22a4032b539148728fab87e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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