HRID676322

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-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID68520389

未命名化合物

结构：CC(C)(C)OC(=O)N1CCCC1C(C(=O)O)c1ccc(C(F)(F)F)c(F)c1

HCID178451687

未命名化合物

PRODUCTS

生成物

结构：CC1CC(O)c2ncnc(N3CCN(C(=O)C(c4ccc(C(F)(F)F)c(F)c4)C4CCCN4C(=O)OC(C)(C)C)CC3)c21

HCID178428901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b076337061804ae0a382be576738cc11
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

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