HRID139679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID12068686

未命名化合物

HCID178495883

未命名化合物

PRODUCTS

生成物

结构：COCC(NC(=O)c1ccc(C(=O)N2CCCC2)c(C)c1)c1nc2cc(Cl)ccc2[nH]1

HCID178495995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ed11feac8364c12899b08b393bf93df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[B-:18]([F:19])([F:20])([F:21])[F:22].[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH3:70][OH:71].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:49][c:50]1[cH:51][c:52]2[c:53]([nH:54][c:55]([CH:57]([CH2:58][O:59][CH3:60])[NH2:61])[n:56]2)[cH:62][cH:63]1.[Cl:64].[Cl:72][CH2:73][Cl:74].[n:23]1([O:24][C:25]([N:26]([CH3:27])[CH3:28])=[N+:29]([CH3:30])[CH3:31])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:61][CH:57]([c:55]2[nH:54][c:53]3[c:52]([cH:51][c:50]([Cl:49])[cH:63][cH:62]3)[n:56]2)[CH2:58][O:59][CH3:60])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1