HRID1219326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=C1CCC2C3CCC4=CC(=O)CCC4(C)C3=CCC12C)C(Cl)S(=O)c1ccccc1

HCID178494451

未命名化合物

PRODUCTS

生成物

结构：COC(=CCl)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3=CCC21C

HCID178495127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b0b415a4c1441a39d7efe622a1ecba9
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

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