HRID1128367

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6385

tert-Butylamine

C4H11N

结构：CCOC(=O)c1c(CCCOS(C)(=O)=O)c(-c2cccs2)c2n1CCc1cc(OC)c(OC(C)C)cc1-2

HCID58124861

Ethyl 9-isopropoxy-8-methoxy-2-(3-(methylsulfonyloxy)propyl)-1-(thiophen-2-yl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate

C27H33NO7S2

PRODUCTS

生成物

结构：CCOC(=O)c1c(CCCNC(C)(C)C)c(-c2cccs2)c2n1CCc1cc(OC)c(OC(C)C)cc1-2

HCID66919826

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-653937b5979e4e919562bf0c056007f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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