HRID1536340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID67869

4-(Trifluoromethyl)anthranilic acid

C8H6F3NO2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID59625412

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(C(=O)c1ccc(C(F)(F)F)cc1N)C1CCCN(C(=O)OC(C)(C)C)C1

HCID59625513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cfaebef3b7e444c8a47e7d7aa321dc5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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