HRID1227429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID69357

Hydroxylamine, O-ethyl-

C2H7NO

结构：CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(CC(=O)C(F)(F)F)c2nc(C)nn12

HCID136063752

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(CC(=NOCC)C(F)(F)F)c2nc(C)nn12

HCID136626643

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ad516e5324e45ce93483b2a4226ba39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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