HRID116406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

HCID81531

Diisopropylethylamine

C8H19N

HCID98054

Benzyl 2-hydroxypropanoate

C10H12O3

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2cccc(F)c2)CCNCC1

HCID58727793

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2cccc(F)c2)CCN(C(C)C(=O)OCc2ccccc2)CC1

HCID178432113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18d9f8f0df9d41318ab43f3a1d450cde
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

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