HRID170846

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID2733374

4-Fluorobenzenesulfonyl isocyanate

C7H4FNO3S

结构：CCCCCC(CC)Cc1nc(C)c2c(=O)[nH]c(-c3cc(N)ccc3OCC)nn12

HCID136336326

未命名化合物

PRODUCTS

生成物

结构：CCCCCC(CC)Cc1nc(C)c2c(=O)[nH]c(-c3cc(NC(=O)NS(=O)(=O)c4ccc(F)cc4)ccc3OCC)nn12

HCID136424195

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cf6459752894d1496489b7760d5ca24
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

[F:31][c:32]1[cH:33][cH:34][c:35]([S:38](=[O:39])(=[O:40])[N:41]=[C:42]=[O:43])[cH:36][cH:37]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:28][CH2:29][CH3:30])[c:6](-[c:8]2[n:9][n:10]3[c:11]([c:12](=[O:14])[nH:13]2)[c:15]([CH3:27])[n:16][c:17]3[CH2:18][CH:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[CH2:25][CH3:26])[cH:7]1.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:28][CH2:29][CH3:30])[c:6](-[c:8]2[n:9][n:10]3[c:11]([c:12](=[O:14])[nH:13]2)[c:15]([CH3:27])[n:16][c:17]3[CH2:18][CH:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[CH2:25][CH3:26])[cH:7]1)[C:42]([NH:41][S:38]([c:35]1[cH:34][cH:33][c:32]([F:31])[cH:37][cH:36]1)(=[O:39])=[O:40])=[O:43]