HRID2151108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID85570

Tosylate

C7H7O3S-

HCID4989215

Pyridinium

C5H6N+

结构：CCOC(C)OC(c1noc(-c2cc(OC)c(Br)c(OC)c2)n1)C(OC)c1ccc(N2CCOCC2)cc1

HCID58431992

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2nc(C(O)C(OC)c3ccc(N4CCOCC4)cc3)no2)cc(OC)c1Br

HCID58431986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3400422c257048e392f886559293b46e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[c:3]([O:37][CH3:38])[cH:4][c:5](-[c:10]2[n:11][c:12]([CH:15]([CH:16]([O:17][CH3:18])[c:19]3[cH:20][cH:21][c:22]([N:25]4[CH2:26][CH2:27][O:28][CH2:29][CH2:30]4)[cH:23][cH:24]3)[O:31][CH:32]([O:33][CH2:34][CH3:35])[CH3:36])[n:13][o:14]2)[cH:6][c:7]1[O:8][CH3:9].[CH3:56][OH:57].[c:39]1([CH3:40])[cH:41][cH:42][c:43]([S:44]([O-:45])(=[O:46])=[O:47])[cH:48][cH:49]1.[nH+:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[Br:1][c:2]1[c:3]([O:37][CH3:38])[cH:4][c:5](-[c:10]2[n:11][c:12]([CH:15]([CH:16]([O:17][CH3:18])[c:19]3[cH:20][cH:21][c:22]([N:25]4[CH2:26][CH2:27][O:28][CH2:29][CH2:30]4)[cH:23][cH:24]3)[OH:31])[n:13][o:14]2)[cH:6][c:7]1[O:8][CH3:9]