HRID85802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

结构：COc1cc(Nc2ncc3c(n2)C(c2ccccc2)CNC3)ccc1-n1cnc(C)c1

HCID44194158

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Nc2ncc3c(n2)C(c2ccccc2)CN(C(C)=O)C3)ccc1-n1cnc(C)c1

HCID44194159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac0961bfcf144fbf90a070c924aa1907
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

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