HRID820867

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID21085833

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：CCc1cccc(CNCC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(CN(C)CC(C)C)c2)c1

HCID21085052

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e470ff10f674c8fbf3334bd19788b69
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([CH:2]([CH3:3])[CH3:4])[N:5]([CH3:6])[CH2:7][c:8]1[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][c:15]([CH3:17])[cH:16]1.[CH2:86]([Cl:87])[Cl:88].[CH2:91]([O:92][CH2:93][CH3:94])[CH3:95].[CH3:89][OH:90].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[ClH:85].[NH2:61][CH:62]([CH:63]([CH2:64][NH:65][CH2:66][c:67]1[cH:68][c:69]([CH2:73][CH3:74])[cH:70][cH:71][cH:72]1)[OH:75])[CH2:76][c:77]1[cH:78][c:79]([F:84])[cH:80][c:81]([F:83])[cH:82]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[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[N:5]([CH3:6])[CH2:7][c:8]1[cH:9][c:10]([C:11](=[O:13])[NH:61][CH:62]([CH:63]([CH2:64][NH:65][CH2:66][c:67]2[cH:68][c:69]([CH2:73][CH3:74])[cH:70][cH:71][cH:72]2)[OH:75])[CH2:76][c:77]2[cH:78][c:79]([F:84])[cH:80][c:81]([F:83])[cH:82]2)[cH:14][c:15]([CH3:17])[cH:16]1.[ClH:85]