HRID2317051

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

结构：CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1c2ccccc2CC1O

HCID22147227

未命名化合物

结构：CCc1nc(NC2CCCc3cc(OC)ccc32)c(CC)nc1Br

HCID22147416

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1CCCc2cc(OC)ccc21

HCID10217072

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5d790833e5a458dab77c1dd5a17299c
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:30][c:31]1[n:32][c:33]([CH2:34][CH3:35])[c:36]([NH:37][CH:40]2[CH2:41][CH2:42][CH2:43][c:44]3[cH:45][c:46]([O:50][CH3:51])[cH:47][cH:48][c:49]32)[n:38][c:39]1[CH2:52][CH3:53].[CH3:131][O:132][CH2:133][CH2:134][O:135][CH3:136].[Cl:1][c:2]1[c:3](-[c:9]2[n:10][c:11]([CH2:28][CH3:29])[c:12]([NH:17][CH:18]3[c:19]4[c:20]([cH:21][cH:22][cH:23][cH:24]4)[CH2:25][CH:26]3[OH:27])[n:13][c:14]2[CH2:15][CH3:16])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Pd:54].[c:112]1([P:113]([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)[cH:126][cH:127][cH:128][cH:129][cH:130]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10][c:11]([CH2:28][CH3:29])[c:12]([NH:17][CH:40]3[CH2:41][CH2:42][CH2:43][c:44]4[cH:45][c:46]([O:50][CH3:51])[cH:47][cH:48][c:49]43)[n:13][c:14]2[CH2:15][CH3:16])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1