HRID210622

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID12765

Benzenethiol, p-methoxy-

C7H8OS

HCID4574913

未命名化合物

HCID14956089

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：COc1ccc(Sc2ccc3c(c2)C=C(C)C(C)(C)O3)cc1

HCID18782871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be6ecfdeb9fe4e6298f5c78ba7075dc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:13][cH:14]1)[O:6][C:7]([CH3:11])([CH3:12])[C:8]([CH3:10])=[CH:9]2.[CH3:15][C:16]([CH3:17])([O-:18])[CH3:19].[CH3:21][O:22][c:23]1[cH:24][cH:25][c:26]([SH:29])[cH:27][cH:28]1.[CH3:30][CH2:31][OH:32].[Na+:20].[cH:33]1[cH:34][cH:35][c:36]([P:37]([Pd:38]([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[cH:108][cH:109]1>>[c:2]1([S:29][c:26]2[cH:25][cH:24][c:23]([O:22][CH3:21])[cH:28][cH:27]2)[cH:3][c:4]2[c:5]([cH:13][cH:14]1)[O:6][C:7]([CH3:11])([CH3:12])[C:8]([CH3:10])=[CH:9]2