HRID196494

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID24822752

7-Bromo-5-methyl-1,2,4-benzotriazin-3-amine

C8H7BrN4

HCID24901770

(2-Chloro-5-nitrophenyl)boronic acid

C6H5BClNO4

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：Cc1cc(-c2cc([N+](=O)[O-])ccc2Cl)cc2nnc(N)nc12

HCID59837784

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eff0f7ea108f42c9b8bcaee341de1159
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([NH2:10])[n:8][n:9]2)[c:11]([CH3:13])[cH:12]1.[C:27](=[O:28])([O-:29])[O-:30].[CH3:33][O:34][CH2:35][CH2:36][O:37][CH3:38].[CH3:39][CH2:40][OH:41].[Cl:14][c:15]1[c:16]([B:24]([OH:25])[OH:26])[cH:17][c:18]([N+:21](=[O:22])[O-:23])[cH:19][cH:20]1.[Cl:43][CH2:44][Cl:45].[Na+:31].[Na+:32].[OH2:42].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([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)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[c:2]1(-[c:16]2[c:15]([Cl:14])[cH:20][cH:19][c:18]([N+:21](=[O:22])[O-:23])[cH:17]2)[cH:3][c:4]2[c:5]([n:6][c:7]([NH2:10])[n:8][n:9]2)[c:11]([CH3:13])[cH:12]1