HRID108140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID12057

Benzenesulfinic acid

C6H6O2S

HCID18462

DL-10-Camphorsulfonic acid

C10H16O4S

HCID5360545

Sodium

结构：C=CCNc1cc2c(c3ccccc13)C(CCl)CN2C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1

HCID9806196

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：COc1cc2cc(C(=O)N3CC(CCl)c4c3cc(N)c3ccccc43)[nH]c2c(OC)c1OC

HCID391700

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22d0aeab44944f58b0e0cbe7d9cef4a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:26]([CH:27]=[CH2:28])[NH:29][c:30]1[c:31]2[c:32]([c:33]3[c:37]([cH:38]1)[N:36]([C:39](=[O:40])[c:41]1[nH:42][c:43]4[c:44]([O:54][CH3:55])[c:45]([O:52][CH3:53])[c:46]([O:50][CH3:51])[cH:47][c:48]4[cH:49]1)[CH2:35][CH:34]3[CH2:56][Cl:57])[cH:58][cH:59][cH:60][cH:61]2.[Cl:62][CH2:63][Cl:64].[Na:10].[O:11]=[S:12](=[O:13])([OH:14])[CH2:15][C:16]12[CH2:17][CH2:18][CH:19]([C:20]1([CH3:21])[CH3:22])[CH2:23][C:24]2=[O:25].[OH:1][S:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)=[O:9].[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([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)([P:90]([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)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[NH2:29][c:30]1[c:31]2[c:32]([c:33]3[c:37]([cH:38]1)[N:36]([C:39](=[O:40])[c:41]1[nH:42][c:43]4[c:44]([O:54][CH3:55])[c:45]([O:52][CH3:53])[c:46]([O:50][CH3:51])[cH:47][c:48]4[cH:49]1)[CH2:35][CH:34]3[CH2:56][Cl:57])[cH:58][cH:59][cH:60][cH:61]2