HRID2129417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2737531

4-Amino-1-methylpiperidine

C6H14N2

反应SMILES：COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2

HCID58153995

未命名化合物

反应SMILES：CN(C)C(N(C)C)=[N+]1N=[N+]([O-])c2ncccc21

HCID178484291

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2

HCID46844028

4-(9-cyclopentyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methyl-piperidin-4-yl)-benzamide

C26H35N7O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-205e84fd29e14507a4da6838bbb8353b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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