HRID691736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5333

Sulfanilamide

C6H8N2O2S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CN1CCn2c(-c3ccc(Cl)cc3F)nc(C(=O)O)c2C1

HCID57635191

未命名化合物

PRODUCTS

生成物

结构：CN1CCn2c(-c3ccc(Cl)cc3F)nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2C1

HCID25132458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-babb5dc4036041acb175e70fb9018087
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[B-:42]([F:43])([F:44])([F:45])[F:46].[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Cl:1][c:2]1[cH:3][c:4]([F:21])[c:5](-[c:8]2[n:9][c:10]([C:18](=[O:19])[OH:20])[c:11]3[n:12]2[CH2:13][CH2:14][N:15]([CH3:17])[CH2:16]3)[cH:6][cH:7]1.[NH2:31][c:32]1[cH:33][cH:34][c:35]([S:38]([NH2:39])(=[O:40])=[O:41])[cH:36][cH:37]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[Cl:1][c:2]1[cH:3][c:4]([F:21])[c:5](-[c:8]2[n:9][c:10]([C:18](=[O:20])[NH:31][c:32]3[cH:33][cH:34][c:35]([S:38]([NH2:39])(=[O:40])=[O:41])[cH:36][cH:37]3)[c:11]3[n:12]2[CH2:13][CH2:14][N:15]([CH3:17])[CH2:16]3)[cH:6][cH:7]1