Acetate → 3-(2-Methylthiophen-3-yl)benzoic acid

HRID 88518

반응식

HRID 88518 반응식
[CH3:1][c:2]1[s:3][cH:4][cH:5][c:6]1[B:7]([OH:8])[OH:9].[I:10][c:11]1[cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18][cH:19]1.[Na+:20].[Na+:21].[O-:22][C:23](=[O:24])[O-:25].[O-:28][C:29]([CH3:30])=[O:31].[O-:32][C:33]([CH3:34])=[O:35].[OH2:26].[Pd+2:27]>>[CH3:1][c:2]1[s:3][cH:4][cH:5][c:6]1-[c:11]1[cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18][cH:19]1

참가 물질

8

반응물 7

HCID 175Acetate2회HCID 923Sodium ion2회HCID 962WaterHCID 120603-Iodobenzoic acidHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 218846302-Methylthiophene-3-boronic acid

생성물 1

HCID 218381273-(2-Methylthiophen-3-yl)benzoic acid

출처 및 근거

ORD 기록
ord-b6ab9cb9ed6d4d1a8ddbee446e21aa8d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…