HRID2130651

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

3 次

HCID24290

未命名化合物

HCID23437913

4-(4-Pentyn-1-yl)morpholine

C9H15NO

HCID23438100

7-Bromo-4-[(2,4-dichlorophenyl)amino]-3-quinolinecarbonitrile

C16H8BrCl2N3

PRODUCTS

生成物

结构：N#Cc1cnc2cc(C#CCCCN3CCOCC3)ccc2c1Nc1ccc(Cl)cc1Cl

HCID23438074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21d9e191aed34ce2b66a762832e5878c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]3)[c:7]([C:12]#[N:13])[cH:8][n:9][c:10]2[cH:11]1.[CH2:23]([CH2:24][CH2:25][C:26]#[CH:27])[N:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[Pd:60]([Cl:61])[Cl:62].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1.[c:63]1([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)[cH:77][cH:78][cH:79][cH:80][cH:81]1.[c:82]1([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)[cH:96][cH:97][cH:98][cH:99][cH:100]1>>[c:2]1([C:27]#[C:26][CH2:25][CH2:24][CH2:23][N:28]2[CH2:29][CH2:30][O:31][CH2:32][CH2:33]2)[cH:3][cH:4][c:5]2[c:6]([NH:14][c:15]3[c:16]([Cl:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]3)[c:7]([C:12]#[N:13])[cH:8][n:9][c:10]2[cH:11]1