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Acetate → 5-(4-methoxyphenyl)-1H-indole-2-carboxylic Acid

HRID 156418
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HRID 156418 반응식
[CH3:14][O:15][c:16]1[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]1.[CH:25]1([P:26]([CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2-[c:39]2[c:40]([O:41][CH3:42])[cH:43][cH:44][c:45]([S:46]([O-:47])(=[O:48])=[O:49])[c:50]2[O:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1.[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:11](=[O:12])[OH:13])[nH:7][c:8]2[cH:9][cH:10]1.[K+:59].[K+:60].[Na+:58].[O-:61][C:62]([O-:63])=[O:64].[O-:66][C:67]([CH3:68])=[O:69].[O-:70][C:71]([CH3:72])=[O:73].[OH2:74].[Pd+2:65]>>[c:2]1(-[c:19]2[cH:18][cH:17][c:16]([O:15][CH3:14])[cH:21][cH:20]2)[cH:3][c:4]2[cH:5][c:6]([C:11](=[O:12])[OH:13])[nH:7][c:8]2[cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 175Acetate2회HCID 813Potassium Cation2회HCID 923Sodium IonHCID 962WaterHCID 19660Carbonate IonHCID 826935-Chloro-1H-indole-2-carboxylic acidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 201262
(4-Methoxyphenyl)boronic acid
HCID 863145343-(2-Dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonate

생성물 1

HCID 116805655-(4-methoxyphenyl)-1H-indole-2-carboxylic Acid

출처 및 근거

ORD 기록
ord-8ba0e9ce5343473cbb7ddf509ee1bc64
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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