HRID2131780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7914

Isopropyl ether

C6H14O

HCID8110

Butyl isocyanate

C5H9NO

HCID8471

Triethylamine

C6H15N

HCID22754735

未命名化合物

PRODUCTS

生成物

结构：CCCCNC(=O)OC1c2ncccc2C(=O)N1c1ccc2ccc(Cl)nc2n1

HCID22754761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c39b31738634fb4830684d4b992cfb8
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

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