HRID681026

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID256810

2-Bromo-6-methoxypyridine

C6H6BrNO

HCID12338585

5,7-Dichloro-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

C10H8Cl2N2O

HCID178418339

Butyllithium

C4H9Li

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：COc1cccc(C2=NCC(=O)N(C)c3ccc(Cl)cc32)n1

HCID59713649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f1207e8d93e48c8b73276532bc48beb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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