HRID1124469

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8083

Morpholine

C4H9NO

HCID2735695

4-tert-Butylphenyl isocyanate

C11H13NO

结构：CCCCc1ccc(C#Cc2ccc(CNCc3ccc(OCC(=O)OC)cc3)cc2)cc1

HCID57554567

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ccc(C#Cc2ccc(CN(Cc3ccc(OCC(=O)OC)cc3)C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)cc1

HCID11541808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-935612f518de4a9180d90f5fa40e70d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:34]([CH3:35])([CH3:36])([CH3:37])[c:38]1[cH:39][cH:40][c:41]([N:44]=[C:45]=[O:46])[cH:42][cH:43]1.[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:18][CH2:19][c:20]3[cH:21][cH:22][c:23]([O:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]3)[cH:32][cH:33]2)[cH:9][cH:10]1.[CH2:47]1[NH:48][CH2:49][CH2:50][O:51][CH2:52]1.[Cl:53][CH2:54][Cl:55]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([CH2:19][c:20]3[cH:21][cH:22][c:23]([O:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]3)[C:45]([NH:44][c:41]3[cH:40][cH:39][c:38]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:43][cH:42]3)=[O:46])[cH:32][cH:33]2)[cH:9][cH:10]1