HRID97427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID24813

Phosphoric trichloride

Cl3OP

HCID31275

1,4-Dioxane

C4H8O2

结构：CCc1ccc(Nc2ncc(CCc3ccnc(O)c3)c3ccccc23)cc1Br

HCID178436568

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(Nc2ncc(CCc3ccnc(Cl)c3)c3ccccc23)cc1Br

HCID17948432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32aaf21d909f43f9a50b7df2fb05042d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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