HRID288334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID27946

1-Pyrrolidinamine

C4H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID20284998

未命名化合物

HCID67444238

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1nc(NC2CCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C2)nc2ccsc12

HCID67443478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd27e08e85e048bd83e0fc9b48beb3aa
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

[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[CH:50]([Cl:51])([Cl:52])[Cl:53].[Cl:7][c:8]1[n:9][c:10]([N:17]([CH3:18])[CH3:19])[c:11]2[c:12]([n:13]1)[cH:14][cH:15][s:16]2.[ClH:20].[NH2:1][N:2]1[CH2:3][CH2:4][CH2:5][CH2:6]1.[NH2:21][CH:22]1[CH2:23][N:24]([C:27]([CH2:28][c:29]2[cH:30][cH:31][c:32]([O:35][C:36]([F:37])([F:38])[F:39])[cH:33][cH:34]2)=[O:40])[CH2:25][CH2:26]1.[OH2:54].[OH:55][CH2:56][CH2:57][OH:58]>>[c:8]1([NH:21][CH:22]2[CH2:23][N:24]([C:27]([CH2:28][c:29]3[cH:30][cH:31][c:32]([O:35][C:36]([F:37])([F:38])[F:39])[cH:33][cH:34]3)=[O:40])[CH2:25][CH2:26]2)[n:9][c:10]([N:17]([CH3:18])[CH3:19])[c:11]2[c:12]([n:13]1)[cH:14][cH:15][s:16]2