HRID810147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

3 次

HCID271

Calcium ion

Ca+2

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID17208

Benzyltriethylammonium

C13H22N+

3 次

HCID19660

Carbonate

CO3-2

结构：N#Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)CN2

HCID17759418

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(Br)c2c(c1)CC(NS(=O)(=O)c1ccccc1)CN2

HCID66757940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1143f97df2f244bbb4acd4de2c47dc42
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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