HRID143452

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID4519056

4-(Bromomethyl)phenylacetic acid

C9H9BrO2

结构：OCc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(O)c1

HCID66913807

未命名化合物

PRODUCTS

生成物

结构：O=C(O)Cc1ccc(COc2cccc(-c3c(CO)cnc4c(C(F)(F)F)cccc34)c2)cc1

HCID66913623

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c4564d3c194412a91580ccb2e91b277
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:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][C:10](=[O:11])[OH:12])[cH:7][cH:8]1.[C:13](=[O:14])([O-:15])[O-:16].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl:49][CH2:50][Cl:51].[ClH:42].[Cs+:17].[Cs+:18].[OH:19][CH2:20][c:21]1[cH:22][n:23][c:24]2[c:25]([C:38]([F:39])([F:40])[F:41])[cH:26][cH:27][cH:28][c:29]2[c:30]1-[c:31]1[cH:32][c:33]([OH:37])[cH:34][cH:35][cH:36]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([CH2:9][C:10](=[O:11])[OH:12])[cH:7][cH:8]1)[O:37][c:33]1[cH:32][c:31](-[c:30]2[c:21]([CH2:20][OH:19])[cH:22][n:23][c:24]3[c:25]([C:38]([F:39])([F:40])[F:41])[cH:26][cH:27][cH:28][c:29]32)[cH:36][cH:35][cH:34]1