HRID1232685

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID82140

2-Aminoimidazole

C3H5N3

HCID22936506

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc2nccc(Oc3ccc(NC(=O)Nc4ncc[nH]4)cc3)c2cc1C#N

HCID22936541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2b2a2d45ec6402688090295476499e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH3:7][CH2:8][N:9]([CH2:10][CH3:11])[CH2:12][CH3:13].[Cl:14][C:15](=[O:16])[O:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[NH2:1][c:2]1[nH:3][cH:4][cH:5][n:6]1.[NH2:24][c:25]1[cH:26][cH:27][c:28]([O:29][c:30]2[cH:31][cH:32][n:33][c:34]3[cH:35][c:36]([O:42][CH2:43][CH2:44][O:45][CH3:46])[c:37]([C:40]#[N:41])[cH:38][c:39]23)[cH:47][cH:48]1.[OH2:54]>>[NH:1]([c:2]1[nH:3][cH:4][cH:5][n:6]1)[C:15](=[O:16])[NH:24][c:25]1[cH:26][cH:27][c:28]([O:29][c:30]2[cH:31][cH:32][n:33][c:34]3[cH:35][c:36]([O:42][CH2:43][CH2:44][O:45][CH3:46])[c:37]([C:40]#[N:41])[cH:38][c:39]23)[cH:47][cH:48]1