HRID306959

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

HCID13739741

5-(Pyridin-3-yl)pentan-2-amine

C10H16N2

结构：C=CCc1cc(C(=O)O)ccc1-c1ccc(OC)c(OC)c1

HCID14570139

未命名化合物

PRODUCTS

生成物

结构：C=CCc1cc(C(=O)NC(C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1

HCID14570106

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2ca92da97234563ab93ce4394d958ec
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

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