HRID2333421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID83372

Dimethylsulphamoyl chloride

C2H6ClNO2S

结构：CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)n(-c2cccc(NCCCO)c2)n1

HCID11569601

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)N(CCCO)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccncc3)cc2)c1

HCID11563439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-040f8655fdd94ec595258bec620cf672
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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