HRID314867

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID21085929

未命名化合物

结构：CCc1cccc(CNCC(O)C(N)Cc2cc(F)cc(F)c2)c1

HCID21865731

未命名化合物

PRODUCTS

生成物

结构：CCCCN1CCOc2ccc(C(=O)NC(Cc3cc(F)cc(F)c3)C(O)CNCc3cccc(CC)c3)cc21

HCID178448585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c4e53dfa55949a99219c47e6b218c7a
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

[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[CH2:6][CH2:7][O:8][c:9]2[c:10]1[cH:11][c:12]([C:15](=[O:16])[OH:17])[cH:13][cH:14]2.[CH2:87]([Cl:88])[Cl:89].[CH:52]([N:53]([CH:54]([CH3:55])[CH3:56])[CH2:57][CH3:58])([CH3:59])[CH3:60].[ClH:61].[ClH:62].[NH2:63][CH:64]([CH:65]([CH2:66][NH:67][CH2:68][c:69]1[cH:70][c:71]([CH2:75][CH3:76])[cH:72][cH:73][cH:74]1)[OH:77])[CH2:78][c:79]1[cH:80][c:81]([F:86])[cH:82][c:83]([F:85])[cH:84]1.[OH:42][n:43]1[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50][n:51]1.[P-:18]([F:19])([F:20])([F:21])([F:22])([F:23])[F:24].[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[n:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[CH2:6][CH2:7][O:8][c:9]2[c:10]1[cH:11][c:12]([C:15](=[O:17])[NH:63][CH:64]([CH:65]([CH2:66][NH:67][CH2:68][c:69]1[cH:70][c:71]([CH2:75][CH3:76])[cH:72][cH:73][cH:74]1)[OH:77])[CH2:78][c:79]1[cH:80][c:81]([F:86])[cH:82][c:83]([F:85])[cH:84]1)[cH:13][cH:14]2