HRID135658

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID283

Formic acid, ion(1-)

CHO2-

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

结构：OC(c1ccc(OC(F)(F)F)cc1)(c1ccc(OC(F)(F)F)cc1)C1CCN(Cc2ccccc2)CC1

HCID22006942

未命名化合物

PRODUCTS

生成物

结构：OC(c1ccc(OC(F)(F)F)cc1)(c1ccc(OC(F)(F)F)cc1)C1CCNCC1

HCID19040926

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78637117d5ab4f9d8818fe839845e91d
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

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