HRID961703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID9086

3-Aminopropanol

C3H9NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CN(C)C(On1nnc2cccnc21)=[N+](C)C

HCID4641409

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

C10H15N6O+

反应SMILES：CC(C)(C)CC1C(C(=O)O)NC(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1

HCID67296811

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)CC1C(C(=O)NCCCO)NC(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1

HCID67299479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f8237daf3b63415d8246dea699dd1297
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

[CH:66]([N:67]([CH2:68][CH3:69])[CH:70]([CH3:71])[CH3:72])([CH3:73])[CH3:74].[Cl:75][CH2:76][Cl:77].[Cl:8][c:9]1[cH:10][c:11]([CH:15]2[C:16]([C:28]#[N:29])([c:30]3[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]3)[CH:17]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH:18]([C:20](=[O:21])[OH:22])[NH:19]2)[cH:12][cH:13][cH:14]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:37][CH2:38][CH2:39][CH2:40][OH:41].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[Cl:8][c:9]1[cH:10][c:11]([CH:15]2[C:16]([C:28]#[N:29])([c:30]3[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]3)[CH:17]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH:18]([C:20](=[O:22])[NH:37][CH2:38][CH2:39][CH2:40][OH:41])[NH:19]2)[cH:12][cH:13][cH:14]1