HRID86121

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID97113

4-Chloro-2-methylthiopyrimidine

C5H5ClN2S

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID3050276

Imidazo(1,2-a)pyridin-5(1H)-one, 2,3-dihydro-7-phenyl-

C13H12N2O

HCID4574913

未命名化合物

结构：CSc1nccc(N2CCCn3c2cc(-c2ccccc2)cc3=O)n1

HCID57593121

未命名化合物

PRODUCTS

生成物

结构：CSc1nccc(N2CCn3c2cc(-c2ccccc2)cc3=O)n1

HCID57593160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab920a0b74c04d23aa6b4d8c7f7c9230
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

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