HRID1236677

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID73768

1-Isocyanato-4-(trifluoromethyl)benzene

C8H4F3NO

结构：CCCCCCNc1ccc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc1

HCID86587770

未命名化合物

PRODUCTS

生成物

结构：CCCCCCN(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc1

HCID18537601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b9fa5dce94a428f841659fc0dd92ae0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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