HRID157008

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID117976

N(1),N(4)-Diethylputrescine

C8H20N2

HCID54053016

未命名化合物

PRODUCTS

产物

HCID11705804

5-[3-(4-Diethylamino-butyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic Acid Amide

C21H28F3N5O3S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-86406d3f757043418869e6a6a08903c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[CH2:31]([CH3:32])[N:33]([CH2:34][CH2:35][CH2:36][CH2:37][NH2:38])[CH2:39][CH3:40].[c:1]1([O:2][C:8]([NH:9][c:10]2[c:11]([C:27]([NH2:28])=[O:29])[c:12]([O:15][CH2:16][c:17]3[c:18]([F:26])[c:19]([F:25])[c:20]([CH3:24])[cH:21][c:22]3[F:23])[n:13][s:14]2)=[O:30])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[C:8]([NH:9][c:10]1[c:11]([C:27]([NH2:28])=[O:29])[c:12]([O:15][CH2:16][c:17]2[c:18]([F:26])[c:19]([F:25])[c:20]([CH3:24])[cH:21][c:22]2[F:23])[n:13][s:14]1)(=[O:30])[NH:38][CH2:37][CH2:36][CH2:35][CH2:34][N:33]([CH2:31][CH3:32])[CH2:39][CH3:40]