HRID1574967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID24386

Thionyl chloride

Cl2OS

HCID518900

Methyl (4-hydroxyphenyl)acetate

C9H10O3

HCID17861225

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1ccc(OCc2cncc(OCc3nc(-c4ccccc4)oc3C)c2)cc1

HCID68886274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eceb922c8c3b4ff1aa61187942a93dd7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:39](=[O:40])([O-:41])[O-:42].[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][c:17]([CH2:21][OH:22])[cH:18][n:19][cH:20]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[K+:43].[K+:44].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH2:45].[OH:27][c:28]1[cH:29][cH:30][c:31]([CH2:34][C:35](=[O:36])[O:37][CH3:38])[cH:32][cH:33]1.[S:23]([Cl:24])([Cl:25])=[O:26]>>[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][c:17]([CH2:21][O:22][c:28]3[cH:29][cH:30][c:31]([CH2:34][C:35](=[O:36])[O:37][CH3:38])[cH:32][cH:33]3)[cH:18][n:19][cH:20]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1