HRID170969

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID3247522

3-Chloro-4-methoxyphenylboronic acid

C7H8BClO3

HCID13381714

6-Chloropyrido[3,2-d]pyrimidine-2,4-diamine

C7H6ClN5

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

HCID25154563

6-(3-Chloro-4-methoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine

C14H12ClN5O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d3aad1a5f8e4d0490fa8abc2cc54cb8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:32]1[O:33][CH2:34][CH2:35][O:36][CH2:37]1.[Cl:20][c:21]1[cH:22][c:23]([B:29]([OH:30])[OH:31])[cH:24][cH:25][c:26]1[O:27][CH3:28].[K+:14].[K+:15].[NH2:1][c:2]1[n:3][c:4]([NH2:13])[c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10]([Cl:12])[n:11]2.[O-:16][C:17]([O-:18])=[O:19].[OH2:38].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([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)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([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)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([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)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[NH2:1][c:2]1[n:3][c:4]([NH2:13])[c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10](-[c:23]1[cH:22][c:21]([Cl:20])[c:26]([O:27][CH3:28])[cH:25][cH:24]1)[n:11]2