HRID308239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID3865706

3-[4-(trifluoromethyl)phenyl]pyrrolidine

C11H12F3N

HCID4574913

未命名化合物

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCc4ccc(Br)cc4)cc3)oc12

HCID25152389

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCc4ccc(N5CCC(c6ccc(C(F)(F)F)cc6)C5)cc4)cc3)oc12

HCID25152581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76743928d7ce4c96acd9860c3c461069
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:7][c:8]1[cH:9][cH:10][c:11]([CH2:12][NH:13][C:14]([c:15]2[cH:16][cH:17][c:18](-[c:21]3[o:22][c:23]4[c:24]([n:25]3)[cH:26][c:27]([C:33]#[N:34])[cH:28][c:29]4[CH:30]([CH3:31])[CH3:32])[cH:19][cH:20]2)=[O:35])[cH:36][cH:37]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[F:38][C:39]([c:40]1[cH:41][cH:42][c:43]([CH:46]2[CH2:47][NH:48][CH2:49][CH2:50]2)[cH:44][cH:45]1)([F:51])[F:52].[Na+:6].[c:53]1(-[c:54]2[c:55]3[c:56]([cH:57][cH:58][cH:59][cH:60]3)[cH:61][cH:62][c: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[c:78]([cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][c:85]1[P:86]([c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1>>[c:8]1([N:48]2[CH2:47][CH:46]([c:43]3[cH:42][cH:41][c:40]([C:39]([F:38])([F:51])[F:52])[cH:45][cH:44]3)[CH2:50][CH2:49]2)[cH:9][cH:10][c:11]([CH2:12][NH:13][C:14]([c:15]2[cH:16][cH:17][c:18](-[c:21]3[o:22][c:23]4[c:24]([n:25]3)[cH:26][c:27]([C:33]#[N:34])[cH:28][c:29]4[CH:30]([CH3:31])[CH3:32])[cH:19][cH:20]2)=[O:35])[cH:36][cH:37]1