HRID142031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID66905

Benzenemethanamine, 4-chloro-N-methyl-

C8H10ClN

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CS(=O)(=O)N1CCN(CCC(C(=O)O)c2ccc(Cl)c(Cl)c2)CC1

HCID57843537

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1ccc(Cl)cc1)C(=O)C(CCN1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1

HCID25127969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0d0ebb614ea4378af0624ba879c3363
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-:25]([F:26])([F:27])([F:28])[F:29].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Cl:1][c:2]1[cH:3][c:4]([CH:9]([C:10](=[O:11])[OH:12])[CH2:13][CH2:14][N:15]2[CH2:16][CH2:17][N:18]([S:21](=[O:22])(=[O:23])[CH3:24])[CH2:19][CH2:20]2)[cH:5][cH:6][c:7]1[Cl:8].[Cl:47][c:48]1[cH:49][cH:50][c:51]([CH2:52][NH:53][CH3:54])[cH:55][cH:56]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:9]([C:10](=[O:11])[N:53]([CH2:52][c:51]2[cH:50][cH:49][c:48]([Cl:47])[cH:56][cH:55]2)[CH3:54])[CH2:13][CH2:14][N:15]2[CH2:16][CH2:17][N:18]([S:21](=[O:22])(=[O:23])[CH3:24])[CH2:19][CH2:20]2)[cH:5][cH:6][c:7]1[Cl:8]