HRID1557623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

HCID7018020

2,5-Dimethyl-1,3-oxazole-4-carbonyl chloride

C6H6ClNO2

结构：Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1

HCID57386059

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)c(C)o1

HCID24767978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7f4bb43c290464ab3faddca22fbe179
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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