HRID190112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID102688

Phenylalanine ethyl ester

C11H15NO2

HCID10520613

4,6-Dichloro-N,N-dihexyl-1,3,5-triazin-2-amine

C15H26Cl2N4

PRODUCTS

生成物

结构：CCCCCCN(CCCCCC)c1nc(Cl)nc(NC(Cc2ccccc2)C(=O)OCC)n1

HCID22396407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f3ad37c3f0b4923868ad75ee1de1bb0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:2]([CH3:3])[O:4][C:5]([CH:6]([NH2:7])[CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)=[O:15].[CH3:43][C:44]#[N:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:16][c:17]1[n:18][c:19]([N:24]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[n:20][c:21]([Cl:23])[n:22]1.[ClH:1].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[OH2:52]>>[CH2:2]([CH3:3])[O:4][C:5]([CH:6]([NH:7][c:21]1[n:20][c:19]([N:24]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[n:18][c:17]([Cl:16])[n:22]1)[CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)=[O:15]