HRID1572347

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

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID93682

4-Chloro-o-anisic acid

C8H7ClO3

HCID68626960

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Cl)ccc1C(=O)NC1COCCn2c1nc(-c1ccncn1)cc2=O

HCID44159260

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d298dd1c87447a6a4d365a6919ce06c
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:32]([P:33](=[O:34])([O:35][CH2:36][CH3:37])[O:38][CH2:39][CH3:40])#[N:41].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cl:20][c:21]1[cH:22][c:23]([O:30][CH3:31])[c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]1.[NH2:1][CH:2]1[CH2:3][O:4][CH2:5][CH2:6][n:7]2[c:8]1[n:9][c:10](-[c:14]1[n:15][cH:16][n:17][cH:18][cH:19]1)[cH:11][c:12]2=[O:13].[OH2:60]>>[NH:1]([CH:2]1[CH2:3][O:4][CH2:5][CH2:6][n:7]2[c:8]1[n:9][c:10](-[c:14]1[n:15][cH:16][n:17][cH:18][cH:19]1)[cH:11][c:12]2=[O:13])[C:25]([c:24]1[c:23]([O:30][CH3:31])[cH:22][c:21]([Cl:20])[cH:29][cH:28]1)=[O:26]