HRID291509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID76283

Ethyl isocyanatoacetate

C5H7NO3

结构：COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(N)c1)=NC(C)(C)C2

HCID17842929

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(N3C(=O)CNC3=O)c1)=NC(C)(C)C2

HCID22344095

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f26188bd06c41c49a7ccd951e413e26
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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