HRID1226980

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6367

Acetyl chloride

C2H3ClO

结构：COc1cc(C2CC(N3CCOCC3)Oc3cc(N(C)C)ccc32)cc(Br)c1OC

HCID69005398

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C2CC(OC)Oc3cc(N(C)C)ccc32)cc(Br)c1OC

HCID10002320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7dea992e761c4f619ad29a98482e84c0
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:1][c:2]1[cH:3][c:4]([CH:12]2[CH2:13][CH:14]([N:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[O:15][c:16]3[cH:17][c:18]([N:22]([CH3:23])[CH3:24])[cH:19][cH:20][c:21]32)[cH:5][c:6]([O:10][CH3:11])[c:7]1[O:8][CH3:9].[C:46](=[O:47])([OH:48])[O-:49].[CH3:42][C:43]([Cl:44])=[O:45].[CH3:51][OH:52].[Na+:50].[c:31]1([CH3:32])[cH:33][cH:34][c:35]([S:36]([OH:37])(=[O:38])=[O:39])[cH:40][cH:41]1>>[Br:1][c:2]1[cH:3][c:4]([CH:12]2[CH2:13][CH:14]([O:45][CH3:43])[O:15][c:16]3[cH:17][c:18]([N:22]([CH3:23])[CH3:24])[cH:19][cH:20][c:21]32)[cH:5][c:6]([O:10][CH3:11])[c:7]1[O:8][CH3:9]