HRID2319685

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2734660

3-Chloro-4-fluorophenylboronic acid

C6H5BClFO2

HCID23435574

6-Bromo-2,4,4-trimethyl-1,4-dihydro-2H-3,1-benzoxazine

C11H14BrNO

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：CC1Nc2ccc(-c3ccc(F)c(Cl)c3)cc2C(C)(C)O1

HCID23435590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c51466ebf7e042acb9d92e58c99672f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:14]1)[C:7]([CH3:12])([CH3:13])[O:8][CH:9]([CH3:11])[NH:10]2.[CH3:32][O:33][CH2:34][CH2:35][O:36][CH3:37].[Cl:15][c:16]1[cH:17][c:18]([B:23]([OH:24])[OH:25])[cH:19][cH:20][c:21]1[F:22].[Na+:26].[Na+:27].[O-:28][C:29](=[O:30])[O-:31].[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>>[c:2]1(-[c:18]2[cH:17][c:16]([Cl:15])[c:21]([F:22])[cH:20][cH:19]2)[cH:3][cH:4][c:5]2[c:6]([cH:14]1)[C:7]([CH3:12])([CH3:13])[O:8][CH:9]([CH3:11])[NH:10]2