HRID291232

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6556

2-Methylbutane

C5H12

HCID8857

Ethyl acetate

C4H8O2

HCID61277

Propane, 2-isocyanato-

C4H7NO

结构：Nc1ccc(Oc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)cc1

HCID178507748

未命名化合物

PRODUCTS

生成物

结构：CC(C)NC(=O)Nc1ccc(Oc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)cc1

HCID178457923

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08d27e4cee9f4991b324bc37ceb4bf34
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

[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH3:46][CH2:47][CH:48]([CH3:49])[CH3:50].[CH:28]([CH3:29])([CH3:30])[N:31]=[C:32]=[O:33].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][c:9]1[nH:10][cH:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([O:18][c:19]3[cH:20][cH:21][c:22]([NH2:23])[cH:24][cH:25]3)[cH:26][cH:27]2)[n:13]1.[OH2:34]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][c:9]1[nH:10][cH:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([O:18][c:19]3[cH:20][cH:21][c:22]([NH:23][C:32]([NH:31][CH:28]([CH3:29])[CH3:30])=[O:33])[cH:24][cH:25]3)[cH:26][cH:27]2)[n:13]1