HRID952236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID9886

Hexafluorophosphate ion

F6P-

HCID31374

Dimethylacetamide

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CN(C)C(On1nnc2cccnc21)=[N+](C)C

HCID4641409

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

C10H15N6O+

HCID19096871

未命名化合物

反应SMILES：Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3n2)c(F)c1

HCID58158529

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(Nc1nc2ccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccccc5)CC4)cc3F)nc2s1)C1CC1

HCID58158514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bd70cc323b9c4b148a69b57dd4b4fe97
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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