HRID673724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID94830

2,6-Dichloroisonicotinic acid

C6H3Cl2NO2

HCID4641409

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

C10H15N6O+

结构：COn1c(=O)c(-c2cc(N)ccc2Cl)cc2cnc(NCCN(C)C)nc21

HCID58478358

未命名化合物

PRODUCTS

生成物

结构：COn1c(=O)c(-c2cc(NC(=O)c3cc(Cl)nc(Cl)c3)ccc2Cl)cc2cnc(NCCN(C)C)nc21

HCID44464375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09d31d2bf91b4944a57cfc97490b0658
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

[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[CH3:80][OH:81].[CH:12]([N:13]([CH:14]([CH3:15])[CH3:16])[CH2:17][CH3:18])([CH3:19])[CH3:20].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([Cl:11])[n:10]1.[Cl:77][CH2:78][Cl:79].[NH2:45][c:46]1[cH:47][cH:48][c:49]([Cl:71])[c:50](-[c:52]2[cH:53][c:54]3[c:55]([n:56][c:57]([NH:60][CH2:61][CH2:62][N:63]([CH3:64])[CH3:65])[n:58][cH:59]3)[n:66]([O:69][CH3:70])[c:67]2=[O:68])[cH:51]1.[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[P-:21]([F:22])([F:23])([F:24])([F:25])([F:26])[F:27].[n:28]1([O:29][C:30]([N:31]([CH3:32])[CH3:33])=[N+:34]([CH3:35])[CH3:36])[c:37]2[n:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:45][c:46]2[cH:47][cH:48][c:49]([Cl:71])[c:50](-[c:52]3[cH:53][c:54]4[c:55]([n:56][c:57]([NH:60][CH2:61][CH2:62][N:63]([CH3:64])[CH3:65])[n:58][cH:59]4)[n:66]([O:69][CH3:70])[c:67]3=[O:68])[cH:51]2)[cH:8][c:9]([Cl:11])[n:10]1