HRID940003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7852

Propylamine

C3H9N

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+

结构：CSc1nc(-c2cc(C(=O)O)ccc2C)c2c(n1)N(c1c(F)cccc1F)C(=O)NC2

HCID11950622

未命名化合物

PRODUCTS

生成物

结构：CCCNC(=O)c1ccc(C)c(-c2nc(SC)nc3c2CNC(=O)N3c2c(F)cccc2F)c1

HCID11950263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f68d537b94c146fbb25e38f7d3d687a8
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:32][CH2:33][CH2:34][NH2:35].[CH:60]([N:61]([CH:62]([CH3:63])[CH3:64])[CH2:65][CH3:66])([CH3:67])[CH3:68].[Cl:69][CH2:70][Cl:71].[F:1][c:2]1[c:3]([N:9]2[C:10](=[O:31])[NH:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([S:29][CH3:30])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26][c:27]2[CH3:28])[c:4]([F:8])[cH:5][cH:6][cH:7]1.[OH2:72].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[F:1][c:2]1[c:3]([N:9]2[C:10](=[O:31])[NH:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([S:29][CH3:30])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:35][CH2:34][CH2:33][CH3:32])[cH:25][cH:26][c:27]2[CH3:28])[c:4]([F:8])[cH:5][cH:6][cH:7]1