HRID1545977

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID2801329

2-Chloro-4-iodotoluene

C7H6ClI

结构：CC(C)(C)OC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)c1ccccc1

HCID67342196

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：Cc1ccc(-c2ccc(C(=O)OC(C)(C)C)c(NC(=O)c3ccccc3)c2)cc1Cl

HCID67341350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4c712a75bbe4a7e8aab3332bcb9d1a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:10](=[O:11])([O-:12])[OH:13].[C:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)(=[O:25])[NH:26][c:27]1[c:28]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:36][cH:37][c:38]([B:40]2[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]2)[cH:39]1.[CH3:127][CH2:128][O:129][C:130](=[O:131])[CH3:132].[CH3:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]1.[CH3:15][CH2:16][OH:17].[Cl:1][c:2]1[c:3]([CH3:9])[cH:4][cH:5][c:6]([I:8])[cH:7]1.[Na+:14].[OH2:126].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[Cl:1][c:2]1[c:3]([CH3:9])[cH:4][cH:5][c:6](-[c:38]2[cH:37][cH:36][c:28]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[c:27]([NH:26][C:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)=[O:25])[cH:39]2)[cH:7]1