HRID214082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID83372

Dimethylsulphamoyl chloride

C2H6ClNO2S

结构：O=C(NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(=O)N1CCNCC1

HCID57904939

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NC23CCC(CC2)Cn2c3nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)CC1

HCID57904970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f37b157bed6e468b90378731f62b3c25
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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