HRID1231827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID568122

未命名化合物

HCID3513851

BEMP phosphazene

C13H31N4P

HCID135742177

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC(Oc2ccc3c(Cl)nccc3c2)C1

HCID86612977

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19d952ced22241f09665944859c1bbe5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH2:21][CH:22]([O:26][S:27]([CH3:28])(=[O:29])=[O:30])[CH2:23][CH2:24][CH2:25]1.[C:31]([N:32]=[P:33]1([N:34]([CH2:35][CH3:36])[CH2:37][CH3:38])[N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][N:44]1[CH3:45])([CH3:46])([CH3:47])[CH3:48].[CH3:49][C:50]#[N:51].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]2[cH:7][c:8]([OH:12])[cH:9][cH:10][c:11]12>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]2[cH:7][c:8]([O:12][CH:22]3[CH2:21][N:20]([C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[CH2:25][CH2:24][CH2:23]3)[cH:9][cH:10][c:11]12