HRID122353

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4351

未命名化合物

HCID6344

Dichloromethane

CH2Cl2

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：O=C(O)c1ccc(Nc2nc(NCc3ccc(OCCBr)cc3)nc(OCC(F)(F)F)n2)cc1

HCID67285180

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc(Nc2nc(NCc3ccc(OCCBr)cc3)nc(OCC(F)(F)F)n2)cc1

HCID68658523

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dba068cfde1847968cdbd5b05587d7fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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