HRID2160965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID10928

Ethyl chloroformate

C3H5ClO2

结构：COc1ccc2c(n1)C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC(C)N2C(=O)OC(C)C

HCID58926738

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC(C)N(C(=O)OC(C)C)c2ccc(OC)nc21

HCID11678661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d382dad939504b14a24b1c00df9c3974
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

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