HRID2147870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID110862

2,6-Dimethyl morpholine

C6H13NO

结构：CC(C)(C)OC(=O)C(CCC(N)=O)N1Cc2c(OCc3ccc(CCl)cc3)cccc2C1=O

HCID67335016

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2ccc(COc3cccc4c3CN(C(CCC(N)=O)C(=O)OC(C)(C)C)C4=O)cc2)CC(C)O1

HCID178430313

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1d04272c7134193934dccbf78f4e8d4
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

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