2,3-Dihydroxybutanedioic Acid → (2-Methyl-5-{1-[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carbonyl]-piperidin-3-yl}-phenoxy)-acetic acid ethyl ester

HRID 143293

반응식

HRID 143293 반응식
[C:1]([OH:2])(=[O:3])[CH:4]([CH:5]([C:6]([OH:7])=[O:8])[OH:9])[OH:10].[CH2:11]([CH3:12])[O:13][C:14]([CH2:15][O:16][c:17]1[c:18]([CH3:29])[cH:19][cH:20][c:21]([CH:23]2[CH2:24][NH:25][CH2:26][CH2:27][CH2:28]2)[cH:22]1)=[O:30].[CH3:31][N:32]([CH3:33])[CH2:34][CH2:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH3:41].[CH3:42][c:43]1[n:44][c:45](-[c:51]2[cH:52][cH:53][c:54]([C:57]([F:58])([F:59])[F:60])[cH:55][cH:56]2)[s:46][c:47]1[C:48](=[O:49])[OH:50].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH3:67][CH2:68][O:69][CH2:70][CH3:71]>>[CH2:11]([CH3:12])[O:13][C:14]([CH2:15][O:16][c:17]1[c:18]([CH3:29])[cH:19][cH:20][c:21]([CH:23]2[CH2:24][N:25]([C:48]([c:47]3[c:43]([CH3:42])[n:44][c:45](-[c:51]4[cH:52][cH:53][c:54]([C:57]([F:58])([F:59])[F:60])[cH:55][cH:56]4)[s:46]3)=[O:49])[CH2:26][CH2:27][CH2:28]2)[cH:22]1)=[O:30]

참가 물질

7

반응물 6

HCID 8752,3-Dihydroxybutanedioic AcidHCID 3283Diethyl EtherHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 27756634-Methyl-2-(4-(trifluoromethyl)phenyl)-5-thiazolecarboxylic acidHCID 68882512Ethyl 2-(2-methyl-5-piperidin-3-ylphenoxy)acetate

생성물 1

HCID 68885433(2-Methyl-5-{1-[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carbonyl]-piperidin-3-yl}-phenoxy)-acetic acid ethyl ester

출처 및 근거

ORD 기록
ord-164c3ae30acb470c8526261b9a91effc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…