HRID152181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID3776

Isopropanol

C3H8O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2757176

7-(3-bromo-propoxy)-chromen-2-one

C12H11BrO3

HCID19778686

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)c2c(c1)OCC(CNCCCOc1ccc3ccc(=O)oc3c1)O2

HCID19809533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0007422390364ddeac3c6f75d91fed12
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

[Br:18][CH2:19][CH2:20][CH2:21][O:22][c:23]1[cH:24][cH:25][c:26]2[cH:27][cH:28][c:29](=[O:33])[o:30][c:31]2[cH:32]1.[CH3:2][O:3][c:4]1[cH:5][c:6]2[c:7]([c:14]([O:16][CH3:17])[cH:15]1)[O:8][CH:9]([CH2:12][NH2:13])[CH2:10][O:11]2.[CH3:52][OH:53].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[CH:43]([OH:44])([CH3:45])[CH3:46].[ClH:1].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[CH3:2][O:3][c:4]1[cH:5][c:6]2[c:7]([c:14]([O:16][CH3:17])[cH:15]1)[O:8][CH:9]([CH2:12][NH:13][CH2:19][CH2:20][CH2:21][O:22][c:23]1[cH:24][cH:25][c:26]3[cH:27][cH:28][c:29](=[O:33])[o:30][c:31]3[cH:32]1)[CH2:10][O:11]2