Acetate → {4-[7-(4-Methanesulfonyl-phenyl)-imidazo[1,2-a]pyridin-3-yl]-phenyl}-methanol

HRID 1573171노트

반응식

HRID 1573171 반응식
[CH3:21][S:22](=[O:23])(=[O:24])[c:25]1[cH:26][cH:27][c:28]([B:31]([OH:32])[OH:33])[cH:29][cH:30]1.[CH3:51][OH:52].[Cl:3][c:4]1[cH:5][c:6]2[n:7]([cH:8][cH:9]1)[c:10](-[c:13]1[cH:14][cH:15][c:16]([CH2:19][OH:20])[cH:17][cH:18]1)[cH:11][n:12]2.[K+:39].[K+:40].[K+:41].[N:1]#[N:2].[O-:43][C:44]([CH3:45])=[O:46].[O-:47][C:48]([CH3:49])=[O:50].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[OH2:59].[P:34]([O-:35])([O-:36])([O-:37])=[O:38].[Pd+2:42]>>[c:4]1(-[c:28]2[cH:27][cH:26][c:25]([S:22]([CH3:21])(=[O:23])=[O:24])[cH:30][cH:29]2)[cH:5][c:6]2[n:7]([cH:8][cH:9]1)[c:10](-[c:13]1[cH:14][cH:15][c:16]([CH2:19][OH:20])[cH:17][cH:18]1)[cH:11][n:12]2

참가 물질

11

반응물 10

HCID 175Acetate2회HCID 813Potassium Cation3회HCID 887MethanolHCID 947NitrogenHCID 962WaterHCID 1061PhosphateHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343644-(Methanesulfonyl)phenylboronic acidHCID 68544639[4-(7-Chloro-imidazo[1,2-a]pyridin-3-yl)-phenyl]-methanol

생성물 1

HCID 68542230{4-[7-(4-Methanesulfonyl-phenyl)-imidazo[1,2-a]pyridin-3-yl]-phenyl}-methanol

출처 및 근거

ORD 기록
ord-315ce033ac4c4f6cbbafb1cb14fd39ec
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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