HRID290524

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

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

结构：Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3c2)cc1

HCID58158625

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cn2cc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccccc5)CC4)cc3)ccc2n1)C1CC1

HCID58158573

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73276d0dcd3448be9e4baa89e2469d41
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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