HRID144691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12748

4-Methylthiazole

C4H5NS

结构：COCC(C)NC(=O)c1cc(I)cc(-c2ccc(C)cc2)c1

HCID59432537

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2scnc2C)c1

HCID59432533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58ff6eed23094b9bbfa9de7abedf05d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][CH2:3][CH:4]([CH3:5])[NH:6][C:7](=[O:8])[c:9]1[cH:10][c:11](-[c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[cH:12][c:13]([I:15])[cH:14]1.[CH3:23][c:24]1[cH:25][s:26][cH:27][n:28]1.[O:29]=[CH:30][N:31]([CH3:32])[CH3:33].[cH:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([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)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[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)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110]1>>[CH3:1][O:2][CH2:3][CH:4]([CH3:5])[NH:6][C:7](=[O:8])[c:9]1[cH:10][c:11](-[c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[cH:12][c:13](-[c:25]2[c:24]([CH3:23])[n:28][cH:27][s:26]2)[cH:14]1