HRID299195

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+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID31374

Dimethylacetamide

C4H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID152115

2,2,3,3-Tetramethylcyclopropanecarboxylic acid

C8H14O2

结构：Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(N)cn4n3)ccc2F)n(C)n1

HCID57505568

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5C(C)(C)C5(C)C)cn4n3)ccc2F)n(C)n1

HCID57505600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a5ccf4d034b4a03823aafbf064f28b1
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

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