HRID673022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID8857

Ethyl acetate

C4H8O2

HCID24408

Bromine

Br2

HCID24614

Phosphorus tribromide

Br3P

HCID24813

Phosphoric trichloride

Cl3OP

结构：O=c1[nH]c(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1

HCID11326260

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc(-c2nc(Br)n(CCCc3ccccc3)c2-c2ccncc2)cc1

HCID11339555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-808213727b984fa2aca15a687e10ec52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:6][Br:7].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[NH3:40].[P:1]([Cl:2])([Cl:3])([Cl:4])=[O:5].[P:8]([Br:9])([Br:10])[Br:11].[c:12]1([CH2:18][CH2:19][CH2:20][n:21]2[c:22](=[O:39])[nH:23][c:24](-[c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]3)[c:25]2-[c:26]2[cH:27][cH:28][n:29][cH:30][cH:31]2)[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[Br:6][c:22]1[n:21]([CH2:20][CH2:19][CH2:18][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:25](-[c:26]2[cH:27][cH:28][n:29][cH:30][cH:31]2)[c:24](-[c:32]2[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]2)[n:23]1