HRID2350525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID549976

1-Hydroxy-2,2,6,6-tetramethylpiperidine

C9H19NO

HCID4641409

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

C10H15N6O+

HCID66782700

未命名化合物

HCID67074825

未命名化合物

HCID178476683

未命名化合物

PRODUCTS

生成物

结构：O=C1CCN(C(=O)OCc2ccccc2)CCN1CCCC(=O)N1CCC2(CC2)C(O)C1

HCID67074322

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ae1c6cbc1cd42ada33781d871e8eeb7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:35]([O:36][IH2:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[C:97](#[N:98])[CH3:99].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([CH2:19][CH2:20][CH2:21][CH2:22][OH:23])[C:15](=[O:18])[CH2:16][CH2:17]1.[CH2:81]1[CH2:82][C:83]12[CH:84]([OH:89])[CH2:85][NH:86][CH2:87][CH2:88]2.[CH3:24][C:25]1([CH3:34])[N:26]([O:27])[C:28]([CH3:29])([CH3:30])[CH2:31][CH2:32][CH2:33]1.[CH3:74][CH2:75][N:76]([CH2:77][CH3:78])[CH2:79][CH3:80].[ClH:90].[Na+:95].[O-:91][C:92]([OH:93])=[O:94].[OH2:96].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([CH2:19][CH2:20][CH2:21][C:22](=[O:23])[N:86]2[CH2:85][CH:84]([OH:89])[C:83]3([CH2:81][CH2:82]3)[CH2:88][CH2:87]2)[C:15](=[O:18])[CH2:16][CH2:17]1