HRID313178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID87697

2-(Methylthio)ethylamine

C3H9NS

HCID4641409

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

C10H15N6O+

结构：CC(=O)N1c2ccc(C(=O)O)cc2C(C)(c2ccccc2)CC1(C)C

HCID17962884

未命名化合物

PRODUCTS

生成物

结构：CSCCNC(=O)c1ccc2c(c1)C(C)(c1ccccc1)CC(C)(C)N2C(C)=O

HCID17962925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50c7dab0f44c4debaa78c1c086b2893b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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