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Ethanol → 5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-phenylpyrazole

HRID 174055
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HRID 174055 반응식
[C:22](=[O:23])([O-:24])[OH:25].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][CH2:45][OH:46].[NH2:1][c:2]1[c:3]([I:21])[c:4]([C:19]#[N:20])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13].[Na+:26].[OH2:36].[OH:27][B:28]([OH:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([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)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([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)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[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)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[NH2:1][c:2]1[c:3](-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:4]([C:19]#[N:20])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 1140TolueneHCID 66827Phenylboronic AcidHCID 154620775-Amino-3-cyano-4-iodo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole
HCID 178420554
HCID 178420554, 화합물

생성물 1

HCID 99306665-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-phenylpyrazole

출처 및 근거

ORD 기록
ord-9a9ae4cebc37454396172f603757f6ed
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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