HRID2320923

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)c1cccc2c1c1c(O)cccc1n2Cc1cccc(OC(F)(F)F)c1

HCID22738950

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1cccc2c1c1c(O)cccc1n2Cc1cccc(OC(F)(F)F)c1

HCID22738223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84247ab02926452ba4f41bedcb2147e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[ClH:31].[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([CH2:10][n:11]2[c:12]3[cH:13][cH:14][cH:15][c:16]([C:25](=[O:26])[O:27][CH3:28])[c:17]3[c:18]3[c:19]([OH:24])[cH:20][cH:21][cH:22][c:23]23)[cH:7][cH:8][cH:9]1)([F:29])[F:30].[NH4+:32].[OH-:33]>>[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([CH2:10][n:11]2[c:12]3[cH:13][cH:14][cH:15][c:16]([C:25](=[O:26])[NH2:32])[c:17]3[c:18]3[c:19]([OH:24])[cH:20][cH:21][cH:22][c:23]23)[cH:7][cH:8][cH:9]1)([F:29])[F:30]