HRID296593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID5943

Carbon tetrachloride

CCl4

HCID6212

Chloroform

CHCl3

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID624348

3-methoxy-2-phenylquinoline-4-carboxylic acid

C17H13NO3

HCID22992323

1-Amino-2-phenylpentan-2-ol

C11H17NO

PRODUCTS

生成物

结构：CCCC1(c2ccccc2)CN=C(c2c(OC)c(-c3ccccc3)nc3ccccc23)O1

HCID12043661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-034a3dcd9ac6470cad3e00a49a9b1cac
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

[C:61]([Cl:62])([Cl:63])([Cl:64])[Cl:65].[CH3:20][O:21][c:22]1[c:23](-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[n:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[c:31]1[C:32](=[O:33])[OH:34].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:70][C:71]#[N:72].[CH:66]([Cl:67])([Cl:68])[Cl:69].[NH2:48][CH2:49][C:50]([CH2:51][CH2:52][CH3:53])([OH:54])[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[cH:73]1[cH:74][cH:75][n:76][cH:77][cH:78]1>>[CH3:20][O:21][c:22]1[c:23](-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[n:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[c:31]1[C:32]1=[N:48][CH2:49][C:50]([CH2:51][CH2:52][CH3:53])([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[O:33]1