Dimethylformamide → {4-[3-[2-(4-Chloro-phenyl)-ethoxy]-5-(4-hydroxymethyl-phenylethynyl)-phenylsulfanyl]-2-methylphenoxy}-acetic acid ethyl ester

HRID 304045

반응식

HRID 304045 반응식
[C:33](#[CH:34])[c:35]1[cH:36][cH:37][c:38]([CH2:41][OH:42])[cH:39][cH:40]1.[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:31])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([Br:30])[cH:17][c:18]([O:20][CH2:21][CH2:22][c:23]3[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]3)[cH:19]2)[cH:11][cH:12]1)=[O:32].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cu:96]([I:97])[I:98].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[Pd:55]([Cl:56])[Cl:57].[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:31])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([C:34]#[C:33][c:35]3[cH:36][cH:37][c:38]([CH2:41][OH:42])[cH:39][cH:40]3)[cH:17][c:18]([O:20][CH2:21][CH2:22][c:23]3[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]3)[cH:19]2)[cH:11][cH:12]1)=[O:32]

참가 물질

8

반응물 7

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 11776Triphenylphosphine2회HCID 24290Palladium ChlorideHCID 83717Copper iodideHCID 11170993(4-Ethynylphenyl)methanolHCID 57791905(4-{3-Bromo-5-[2-(4-chloro-phenyl)-ethoxy]-phenylsulfanyl}-2-methyl-phenoxy)acetic acid ethyl ester

생성물 1

HCID 67024299{4-[3-[2-(4-Chloro-phenyl)-ethoxy]-5-(4-hydroxymethyl-phenylethynyl)-phenylsulfanyl]-2-methylphenoxy}-acetic acid ethyl ester

출처 및 근거

ORD 기록
ord-f33064f82fb9414f824d94e52c367f4e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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