HRID171588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

2 次

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID151417

Glycine tert-butyl ester

C6H13NO2

结构：COC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4OC(C)(C)C(=O)OC(C)(C)C)cc3)c2c1C

HCID22179696

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4OC(C)(C)C(=O)NCC(=O)OC(C)(C)C)cc3)c2c1C

HCID21025143

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bc4f9a235bd46b68e343b28e538aad9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:43]([CH3:44])([CH3:45])([CH3:46])[O:47][C:48]([CH2:49][NH2:50])=[O:51].[CH2:61]([Cl:62])[CH2:63][Cl:64].[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH3:41])[c:7]2[n:8]([n:9][cH:10][c:11]([C:38]#[N:39])[c:12]2[NH:13][c:14]2[cH:15][cH:16][c:17]([O:20][c:21]3[c:22]([O:27][C:28]([CH3:29])([CH3:30])[C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:23][cH:24][cH:25][cH:26]3)[cH:18][cH:19]2)[cH:40]1.[CH3:81][N:82]([c:83]1[cH:84][cH:85][n:86][cH:87][cH:88]1)[CH3:89].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[Cl:73][CH2:74][Cl:75].[Cl:77][CH2:78][CH2:79][Cl:80].[ClH:42].[ClH:65].[F:66][C:67]([F:68])([F:69])[C:70]([OH:71])=[O:72].[OH2:76]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH3:41])[c:7]2[n:8]([n:9][cH:10][c:11]([C:38]#[N:39])[c:12]2[NH:13][c:14]2[cH:15][cH:16][c:17]([O:20][c:21]3[c:22]([O:27][C:28]([CH3:29])([CH3:30])[C:31](=[O:32])[NH:50][CH2:49][C:48]([O:47][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:51])[cH:23][cH:24][cH:25][cH:26]3)[cH:18][cH:19]2)[cH:40]1