HRID151966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

结构：CC(C)(C)OC(=O)NC(=NS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C

HCID3694570

1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine

C12H20F3N3O6S

HCID68813531

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CCCC1c1cc(-c2ccccn2)no1

HCID68814905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba0c17187d4d48f1a9f5d20e7fe7e3c0
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

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