HRID2152808

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID83372

Dimethylsulphamoyl chloride

C2H6ClNO2S

结构：Fc1cccnc1C1CCC(c2nnc3n2-c2ccc(Cl)cc2CNC3)CC1

HCID53492956

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCC(c3ncccc3F)CC2)C1

HCID53492834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6b5739b5bdb48afabb6912efff86427
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

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