HRID2340757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

反应SMILES：CCCCC(=O)c1c(-c2ccc3c(Br)c(OC(Cc4ccccc4)C(=O)OCC)ccc3c2)oc2ccccc12

HCID12082838

未命名化合物

PRODUCTS

产物

反应SMILES：CCCCC(=O)c1c(-c2ccc3c(Br)c(OC(Cc4ccccc4)C(=O)O)ccc3c2)oc2ccccc12

HCID10303446

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8546984077b244f09a912baacc4a7e5c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[Br:1][c:2]1[c:3]([O:27][CH:28]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:4][cH:5][c:6]2[cH:7][c:8](-[c:12]3[o:13][c:14]4[c:15]([c:16]3[C:17]([CH2:18][CH2:19][CH2:20][CH3:21])=[O:22])[cH:23][cH:24][cH:25][cH:26]4)[cH:9][cH:10][c:11]12.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[K+:42].[OH-:41].[OH2:48]>>[Br:1][c:2]1[c:3]([O:27][CH:28]([C:29](=[O:30])[OH:31])[CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:4][cH:5][c:6]2[cH:7][c:8](-[c:12]3[o:13][c:14]4[c:15]([c:16]3[C:17]([CH2:18][CH2:19][CH2:20][CH3:21])=[O:22])[cH:23][cH:24][cH:25][cH:26]4)[cH:9][cH:10][c:11]12