HRID2328931

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8071

未命名化合物

结构：COc1cc(Nc2c(C#N)cnc3cc(Br)ccc23)c(Cl)cc1C

HCID23437814

未命名化合物

HCID23438311

4-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl}morpholine

C15H24BNO3S

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：COc1cc(Nc2c(C#N)cnc3cc(-c4csc(CN5CCOCC5)c4)ccc23)c(Cl)cc1C

HCID10278912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f39e5449bd324a4883f058d91430226d
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]([NH:14][c:15]3[c:16]([Cl:24])[cH:17][c:18]([CH3:23])[c:19]([O:21][CH3:22])[cH:20]3)[c:7]([C:12]#[N:13])[cH:8][n:9][c:10]2[cH:11]1.[C:52](=[O:53])([OH:54])[O-:55].[CH3:25][C:26]1([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31][B:32]([c:33]2[cH:34][c:35]([CH2:38][N:39]3[CH2:40][CH2:41][O:42][CH2:43][CH2:44]3)[s:36][cH:37]2)[O:45]1.[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[Na+:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([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)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[c:2]1(-[c:33]2[cH:34][c:35]([CH2:38][N:39]3[CH2:40][CH2:41][O:42][CH2:43][CH2:44]3)[s:36][cH:37]2)[cH:3][cH:4][c:5]2[c:6]([NH:14][c:15]3[c:16]([Cl:24])[cH:17][c:18]([CH3:23])[c:19]([O:21][CH3:22])[cH:20]3)[c:7]([C:12]#[N:13])[cH:8][n:9][c:10]2[cH:11]1