HRID98692

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8862

3,5-Dimethylmorpholine

C6H13NO

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)CCC(C(N)=O)N1Cc2c(OCc3ccc(CBr)cc3)cccc2C1=O

HCID58388934

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCC(C(N)=O)N1Cc2c(OCc3ccc(CN4C(C)COCC4C)cc3)cccc2C1=O

HCID178500415

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f801502b1b2649dcb33cada344f11736
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

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