HRID319999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

3 次

HCID1068

Dimethyl sulfide

C2H6S

HCID6344

Dichloromethane

CH2Cl2

HCID104727

Aluminum Cation

Al+3

结构：COC(=O)c1ccc2cc(NC(=O)C3NC(CC(C)(C)C)C(C#N)(c4ccc(Cl)cc4F)C3c3cccc(Cl)c3F)ccc2c1

HCID178497279

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1NC(C(=O)Nc2ccc3cc(C(=O)O)ccc3c2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F

HCID178442287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-075649e243d740d18446fa389d8be84a
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

[Al+3:47].[Br-:46].[Br-:48].[Br-:49].[CH2:53]([Cl:54])[Cl:55].[CH3:50][S:51][CH3:52].[Cl:1][c:2]1[c:3]([F:45])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[NH:30][c:31]3[cH:32][c:33]4[cH:34][cH:35][c:36]([C:41](=[O:42])[O:43][CH3:44])[cH:37][c:38]4[cH:39][cH:40]3)[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[c:3]([F:45])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[NH:30][c:31]3[cH:32][c:33]4[cH:34][cH:35][c:36]([C:41](=[O:42])[OH:43])[cH:37][c:38]4[cH:39][cH:40]3)[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1