HRID148497

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID1382041

1-(1H-Imidazol-2-yl)methanamine

C4H7N3

结构：Cc1ccc(C(=O)NCc2ccccc2)cc1-c1nc(S(C)=O)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID59212711

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NCc2ccccc2)cc1-c1nc(NCc2ncc[nH]2)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID11948178

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-056c5652ccb04ffe8519fdfe6ea17325
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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