HRID298031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID312

Chloride

Cl-

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID617834

Stannane, trimethyl(4-methylphenyl)-

C10H16Sn

结构：CC1(C)C=C(c2ccc(I)cn2)c2cc(C#N)ccc2O1

HCID19895603

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2ccc(C3=CC(C)(C)Oc4ccc(C#N)cc43)nc2)cc1

HCID19895588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-223771b32c96482899402ce56338491d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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