HRID148148

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID23642

Benzenethiol, 2-methoxy-

C7H8OS

HCID3826051

未命名化合物

HCID22287253

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：COc1ccccc1Sc1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1

HCID22621277

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99865cb8e34048728c685a038fbd995b
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

[CH3:19][O:20][c:21]1[c:22]([SH:27])[cH:23][cH:24][cH:25][cH:26]1.[CH3:28][O-:29].[CH3:31][CH2:32][OH:33].[Cl:1][c:2]1[c:3]([NH:9][C:10]([C:11]([C:12]([F:13])([F:14])[F:15])([CH3:16])[OH:17])=[O:18])[cH:4][cH:5][c:6]([I:8])[cH:7]1.[Na+:30].[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>>[Cl:1][c:2]1[c:3]([NH:9][C:10]([C:11]([C:12]([F:13])([F:14])[F:15])([CH3:16])[OH:17])=[O:18])[cH:4][cH:5][c:6]([S:27][c:22]2[c:21]([O:20][CH3:19])[cH:26][cH:25][cH:24][cH:23]2)[cH:7]1