HRID1115351

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+

结构：CCCN(CCC)C(=O)c1cc(C(=O)O)cc(-c2noc(C)n2)c1

HCID21085788

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

HCID313

Hydrochloric Acid

ClH

结构：CCCN(CCC)C(=O)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)CNCc2cccc(CC)c2)cc(-c2noc(C)n2)c1

HCID178457277

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2932afd5fac4d8b9fe68b703d877571
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:1]([CH2:2][CH3:3])[N:4]([C:5](=[O:6])[c:7]1[cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][c:14](-[c:16]2[n:17][o:18][c:19]([CH3:21])[n:20]2)[cH:15]1)[CH2:22][CH2:23][CH3:24].[CH2:94]([Cl:95])[Cl:96].[CH:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH2:64][CH3:65])([CH3:66])[CH3:67].[ClH:68].[ClH:69].[NH2:70][CH:71]([CH:72]([CH2:73][NH:74][CH2:75][c:76]1[cH:77][c:78]([CH2:82][CH3:83])[cH:79][cH:80][cH:81]1)[OH:84])[CH2:85][c:86]1[cH:87][c:88]([F:93])[cH:89][c:90]([F:92])[cH:91]1.[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1.[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH2:1]([CH2:2][CH3:3])[N:4]([C:5](=[O:6])[c:7]1[cH:8][c:9]([C:10](=[O:12])[NH:70][CH:71]([CH:72]([CH2:73][NH:74][CH2:75][c:76]2[cH:77][c:78]([CH2:82][CH3:83])[cH:79][cH:80][cH:81]2)[OH:84])[CH2:85][c:86]2[cH:87][c:88]([F:93])[cH:89][c:90]([F:92])[cH:91]2)[cH:13][c:14](-[c:16]2[n:17][o:18][c:19]([CH3:21])[n:20]2)[cH:15]1)[CH2:22][CH2:23][CH3:24].[ClH:68]