HRID104505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID23994

Zinc

结构：COc1cc2c(-c3cc4c(C=NO)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

HCID136401439

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(-c3cc4c(CN)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

HCID67147726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23a7dabbe6ce4b00a0d6f822307de61b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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