HRID95582

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8021

Diethylamine

C4H11N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID13018

Benzene, 1-ethynyl-4-methyl- (9CI)

C9H8

HCID24290

未命名化合物

结构：O=C1Nc2ncccc2C12Cc1cc3ccc(Cl)nc3cc1C2

HCID59594283

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C#Cc2ccc3cc4c(cc3n2)CC2(C4)C(=O)Nc3ncccc32)cc1

HCID16736992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4ae76a82c4748c09543e558f0fb6c31
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:24](#[CH:25])[c:26]1[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]1.[CH2:33]([NH:34][CH2:35][CH3:36])[CH3:37].[Cl:1][c:2]1[n:3][c:4]2[cH:5][c:6]3[c:7]([cH:8][c:9]2[cH:10][cH:11]1)[CH2:12][C:13]1([CH2:14]3)[C:15](=[O:23])[NH:16][c:17]2[n:18][cH:19][cH:20][cH:21][c:22]21.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[Pd:43]([Cl:44])[Cl:45].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]1>>[c:2]1([C:25]#[C:24][c:26]2[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]2)[n:3][c:4]2[cH:5][c:6]3[c:7]([cH:8][c:9]2[cH:10][cH:11]1)[CH2:12][C:13]1([CH2:14]3)[C:15](=[O:23])[NH:16][c:17]2[n:18][cH:19][cH:20][cH:21][c:22]21