查数据/反应详情

HRID1211726

反应详情

EQUATION

反应方程式

HRID 1211726 的结构方程式

REACTANTS

反应物

3

结构：N

Ammonia gas

H3N

结构：CO

Methanol

CH4O

结构：O=C(OC(CN(C(=O)c1cccc(C(F)(F)F)c1)c1cccc(F)c1)C(F)(F)F)c1cccc(C(F)(F)F)c1

未命名化合物

PRODUCTS

生成物

1

结构：O=C(c1cccc(C(F)(F)F)c1)N(CC(O)C(F)(F)F)c1cccc(F)c1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7727dab2a8f54d9b81124571b87c8292
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

[CH3:41][OH:42].[F:1][C:2]([F:3])([F:4])[c:5]1[cH:6][c:7]([C:38]([O:8][CH:9]([C:10]([F:11])([F:12])[F:13])[CH2:14][N:15]([C:16]([c:17]2[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]2)=[O:27])[c:28]2[cH:29][c:30]([F:34])[cH:31][cH:32][cH:33]2)=[O:39])[cH:35][cH:36][cH:37]1.[NH3:40]>>[OH:8][CH:9]([C:10]([F:11])([F:12])[F:13])[CH2:14][N:15]([C:16]([c:17]1[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]1)=[O:27])[c:28]1[cH:29][c:30]([F:34])[cH:31][cH:32][cH:33]1

AIchem 开放数据计划：mail@huagongshe.com