HRID136073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID8028

Tetrahydrofuran

C4H8O

HCID18467556

未命名化合物

HCID53630274

3-(Cycloundecen-1-yl)-1,2-diazacycloundec-2-ene

C20H36N2

PRODUCTS

产物

HCID18467574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e77cfc71cf9a407aa8764ffff760696b
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

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