HRID144367

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID25134

Boron tribromide

BBr3

结构：COCC(C)Oc1cc(Oc2cnc(S(C)(=O)=O)cn2)cc(-c2ccc(C3=NC(C(C)O)CO3)[nH]2)c1

HCID74943636

未命名化合物

PRODUCTS

生成物

结构：CC(CO)Oc1cc(Oc2cnc(S(C)(=O)=O)cn2)cc(-c2ccc(C3=NC(C(C)O)CO3)[nH]2)c1

HCID178460399

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-231fb83feca945edbfc0db2aaaaf9e61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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