HRID96203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID6569

Methyl ethyl ketone

C4H8O

结构：COc1ccc(C2CC(c3ccccn3)Nc3c(Br)c(-c4ccccc4)nn32)cc1OC

HCID135774033

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

2 次

HCID135774033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d31f844b41e47049fa0cb6972105ccd
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:2][c:3]1[c:4](-[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[n:5][n:6]2[c:7]1[NH:8][CH:9]([c:22]1[n:23][cH:24][cH:25][cH:26][cH:27]1)[CH2:10][CH:11]2[c:12]1[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][cH:17]1.[CH2:40]([C:41]([CH3:42])=[O:43])[CH3:44].[CH3:35][Si:36]([CH3:37])([CH3:38])[Cl:39].[ClH:1].[OH2:34]>>[Br:2][c:3]1[c:4](-[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[n:5][n:6]2[c:7]1[NH:8][CH:9]([c:22]1[n:23][cH:24][cH:25][cH:26][cH:27]1)[CH2:10][CH:11]2[c:12]1[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][cH:17]1.[ClH:1].[ClH:39]