HRID2152196

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：NC(=O)c1cc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)c(F)c2)ccn1

HCID59597016

未命名化合物

结构：O=C(O[IH2](OC(=O)C(F)(F)F)c1ccccc1)C(F)(F)F

HCID178526050

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Nc1cc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)c(F)c2)ccn1

HCID59596943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e5a43f0148f4301b98aa7a38543b1fe
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

[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[ClH:56].[F:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][c:8]([C:12]([NH2:13])=[O:14])[n:9][cH:10][cH:11]2)[cH:15][cH:16][c:17]1[NH:18][C:19](=[O:20])[C:21]1([C:24]([NH:25][c:26]2[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]2)=[O:33])[CH2:22][CH2:23]1.[F:35][C:36]([F:37])([F:38])[C:39]([O:40][IH2:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[O:48][C:49](=[O:50])[C:51]([F:52])([F:53])[F:54])=[O:55].[OH2:34].[cH:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1>>[ClH:56].[F:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][c:8]([NH2:58])[n:9][cH:10][cH:11]2)[cH:15][cH:16][c:17]1[NH:18][C:19](=[O:20])[C:21]1([C:24]([NH:25][c:26]2[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]2)=[O:33])[CH2:22][CH2:23]1