HRID1134098

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8022

Ethyl isocyanate

C3H5NO

HCID81531

Diisopropylethylamine

C8H19N

结构：Oc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c1

HCID24888752

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Oc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c1

HCID59244953

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f4c1062049e4700a6c656f076d669c8
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

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