HRID1562680

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID114616

Pentanamide, 2-amino-4-methyl-

C6H14N2O

HCID547370

N,N-Diisopropylmethylamine

C7H17N

结构：COc1ccc(CN2Cc3c(F)c(Cl)nc(Cl)c3C2=O)c(OC)c1

HCID58317575

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2Cc3c(F)c(NC(CC(C)C)C(N)=O)nc(Cl)c3C2=O)c(OC)c1

HCID76759138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f19ace2b6a58449f9682a1d4a6c5da2e
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

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