HRID1205703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

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

结构：Cn1ncc(CNCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c1N

HCID18442411

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc(CN(CCNC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1N

HCID68519459

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0d9f55b7329495891a05e2fe3340e82
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

[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH:64]([Cl:65])([Cl:66])[Cl:67].[F:39][C:40]([F:41])([F:42])[S:43]([N:44]=[C:45]([NH:46][C:47]([O:48][C:49]([CH3:50])([CH3:51])[CH3:52])=[O:53])[NH:54][C:55]([O:56][C:57]([CH3:58])([CH3:59])[CH3:60])=[O:61])(=[O:62])=[O:63].[NH2:1][c:2]1[c:3]([CH2:8][NH:9][CH2:10][CH2:11][NH:12][C:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:4][n:5][n:6]1[CH3:7]>>[NH2:1][c:2]1[c:3]([CH2:8][N:9]([CH2:10][CH2:11][NH:12][C:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[C:45]([NH:46][C:47]([O:48][C:49]([CH3:50])([CH3:51])[CH3:52])=[O:53])=[N:54][C:55]([O:56][C:57]([CH3:58])([CH3:59])[CH3:60])=[O:61])[cH:4][n:5][n:6]1[CH3:7]