HRID2123524

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID18404236

4-(1H-Imidazol-1-yl)-2-methylquinolin-8-ol

C13H11N3O

结构：CCOC(=O)c1ccc(C=CC(=O)NCC(=O)N(C)c2ccc(Cl)c(CO)c2Cl)cn1

HCID53852719

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(C=CC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(-n5ccnc5)cc(C)nc34)c2Cl)cn1

HCID53813014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-268da9dd052843faa06c2edc2d86ba18
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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