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Hydrochloric Acid → HCID 21947847, 화합물

HRID 1550561
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HRID 1550561 반응식
[Br:1][c:2]1[cH:3][c:4]([O:13][CH3:14])[c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]1[O:11][CH3:12].[C:28](=[O:29])([O-:30])[O-:31].[ClH:34].[F:15][C:16]([c:17]1[c:18]([B:23]([OH:24])[OH:25])[cH:19][cH:20][cH:21][cH:22]1)([F:26])[F:27].[K+:32].[K+:33].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([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)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([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)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([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)[cH:116][cH:117]1>>[c:2]1(-[c:18]2[c:17]([C:16]([F:15])([F:26])[F:27])[cH:22][cH:21][cH:20][cH:19]2)[cH:3][c:4]([O:13][CH3:14])[c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]1[O:11][CH3:12]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27343872-(Trifluoromethyl)benzeneboronic acidHCID 219477224-Bromo-2,5-dimethoxybenzoic acidHCID 178420554HCID 178420554, 화합물

생성물 1

HCID 21947847HCID 21947847, 화합물

출처 및 근거

ORD 기록
ord-e8cd3bc301d84b269f927c5743c9b0dc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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