HRID829384

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID81531

Diisopropylethylamine

C8H19N

HCID242085

1-Piperidinecarbonyl chloride

C6H10ClNO

反应SMILES：CCc1cc2nc(-c3n[nH]cc3N)[nH]c2cc1C

HCID178435430

未命名化合物

HCID178509533

未命名化合物

反应SMILES：O=C(Nc1c[nH]nc1-c1nc2cc(OC(F)F)ccc2[nH]1)N1CCCCC1

HCID178522444

未命名化合物

PRODUCTS

产物

反应SMILES：CCc1cc2nc(-c3n[nH]cc3NC(=O)N3CCCCC3)[nH]c2cc1C

HCID178435429

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-19b44fe7b163423f86c85259ea2f98d0
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

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