HRID1223962

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1004

Phosphoric acid

H3O4P

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11723

未命名化合物

HCID28486

Lithium ion

Li+

HCID98431

5-(Hydroxymethyl)dihydro-2(3H)-furanone

C5H8O3

HCID3280088

未命名化合物

HCID57671317

未命名化合物

PRODUCTS

生成物

结构：O=C1OC(CO)CC1Cc1c(Cl)cc(-c2ccc(F)cc2)cc1Cl

HCID178519188

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d1384e2526d48c4bffe3e6b1b9d074c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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