HRID667733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID7503

Benzyl chloride

C7H7Cl

HCID19660

Carbonate

CO3-2

HCID40634

Trolox

C14H18O4

结构：Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(C(=O)OCc1ccccc1)O2

HCID21483865

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(C(=O)O)O2

HCID9905948

3,4-Dihydro-2,5,7,8-tetramethyl-6-(phenylmethoxy)-2H-1-benzopyran-2-carboxylic acid

C21H24O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72a9900ad6df44f89ada25be483f898a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:19](=[O:20])([O-:21])[O-:22].[CH2:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[O:40][c:41]1[c:42]([CH3:64])[c:43]2[c:48]([c:49]([CH3:52])[c:50]1[CH3:51])[O:47][C:46]([C:53](=[O:54])[O:55][CH2:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)([CH3:63])[CH2:45][CH2:44]2.[CH3:68][S:69]([CH3:70])=[O:71].[Cl:25][CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[K+:23].[K+:24].[Na+:66].[OH-:65].[OH2:67].[OH:1][c:2]1[c:3]([CH3:4])[c:5]2[c:6]([c:7]([CH3:8])[c:9]1[CH3:10])[O:11][C:12]([CH3:13])([C:14]([OH:15])=[O:16])[CH2:17][CH2:18]2>>[CH2:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[O:40][c:41]1[c:42]([CH3:64])[c:43]2[c:48]([c:49]([CH3:52])[c:50]1[CH3:51])[O:47][C:46]([C:53](=[O:54])[OH:55])([CH3:63])[CH2:45][CH2:44]2