HRID702388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

结构：CCOc1c(OCC)c2c(c([N+](=O)[O-])c1OCC)C(=O)OC2C1c2c(cc(OC)c(OC)c2OC)CCN1C

HCID12800935

2-Methyl-6,7,8-trimethoxy-1[4,5,6-triethoxy-7-nitro-3-phthalidyl]-1,2,3,4-tetrahydro-isoquinoline

C27H34N2O10

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CCOc1c(N)c2c(c(OCC)c1OCC)C(C1c3c(cc(OC)c(OC)c3OC)CCN1C)OC2=O

HCID166433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca56f20b2cf740558906706a527fc4ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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