HRID823842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID962

Water

H2O

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID28486

Lithium ion

Li+

HCID81531

Diisopropylethylamine

C8H19N

HCID2737531

4-Amino-1-methylpiperidine

C6H14N2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：COC(=O)C1CCN(c2ccc(N3CC(=O)Nc4cnc5ccc(Br)cc5c43)cc2C(F)(F)F)CC1

HCID67008030

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(NC(=O)C2CCN(c3ccc(N4CC(=O)Nc5cnc6ccc(Br)cc6c54)cc3C(F)(F)F)CC2)CC1

HCID58525073

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-863f06053e93450c85cc4546a4ab1029
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

[Br:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([cH:7][n:8][c:9]2[cH:10][cH:11]1)[NH:12][C:13](=[O:36])[CH2:14][N:15]3[c:16]1[cH:17][c:18]([C:32]([F:33])([F:34])[F:35])[c:19]([N:22]2[CH2:23][CH2:24][CH:25]([C:28]([O:30][CH3:29])=[O:31])[CH2:26][CH2:27]2)[cH:20][cH:21]1.[CH2:82]1[O:83][CH2:84][CH2:85][CH2:86]1.[CH3:41][N:42]1[CH2:43][CH2:44][CH:45]([NH2:48])[CH2:46][CH2:47]1.[CH:73]([N:74]([CH2:75][CH3:76])[CH:77]([CH3:78])[CH3:79])([CH3:80])[CH3:81].[ClH:40].[Li+:39].[O:89]=[CH:90][N:91]([CH3:92])[CH3:93].[OH-:38].[OH2:37].[OH2:87].[OH2:88].[P-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[n:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([cH:7][n:8][c:9]2[cH:10][cH:11]1)[NH:12][C:13](=[O:36])[CH2:14][N:15]3[c:16]1[cH:17][c:18]([C:32]([F:33])([F:34])[F:35])[c:19]([N:22]2[CH2:23][CH2:24][CH:25]([C:28](=[O:30])[NH:48][CH:45]3[CH2:44][CH2:43][N:42]([CH3:41])[CH2:47][CH2:46]3)[CH2:26][CH2:27]2)[cH:20][cH:21]1