HRID120348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

结构：Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1

HCID15541852

未命名化合物

HCID53401111

Ethyl 4-chloro-4-oxo-2-butenoate

C6H7ClO3

PRODUCTS

生成物

结构：CCOC(=O)C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1

HCID69805748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab230e9b94db43fb9c48e16fa21dffe6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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