HRID2344711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

HCID7918

Acetic anhydride

C4H6O3

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：COc1ccc(Cc2cccc(C3(O)CC(COCc4ccccc4)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)c2)cc1

HCID178489694

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cc2cccc(C3(OC(C)=O)CC(COCc4ccccc4)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)c2)cc1

HCID178489695

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-007deae4788d494cbc82df1c1043bd61
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

[C:67](=[O:68])([O-:69])[OH:70].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[C:10]([OH:40])([c:41]2[cH:42][c:43]([CH2:47][c:48]3[cH:49][cH:50][c:51]([O:54][CH3:55])[cH:52][cH:53]3)[cH:44][cH:45][cH:46]2)[CH2:11][CH:12]([CH2:31][O:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH:13]([O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH:14]1[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH3:63][C:64]([Cl:65])=[O:66].[CH3:72][N:73]([CH3:74])[c:75]1[cH:76][cH:77][n:78][cH:79][cH:80]1.[CH3:84][C:85]([O:86][C:87](=[O:88])[CH3:89])=[O:90].[Cl:81][CH2:82][Cl:83].[Na+:71]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[C:10]([O:40][C:64]([CH3:63])=[O:66])([c:41]2[cH:42][c:43]([CH2:47][c:48]3[cH:49][cH:50][c:51]([O:54][CH3:55])[cH:52][cH:53]3)[cH:44][cH:45][cH:46]2)[CH2:11][CH:12]([CH2:31][O:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH:13]([O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH:14]1[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1