HRID693980

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7894

3-Methyl-1-butanamine

C5H13N

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID67133674

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCNC(=O)c1cccnc1SCCC(F)(F)c1ccc(F)cc1

HCID59487301

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33ad1f9f9518404f85c4fc073161ec48
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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