HRID824972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID23393

2-(Chloromethyl)pyridine

C6H6ClN

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCNCC2)n1

HCID10299557

未命名化合物

PRODUCTS

生成物

结构：CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCN(Cc3ccccn3)CC2)n1

HCID10210142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3153104c631c448180886961bf382734
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:53][C:54]#[N:55].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][N:11]([c:12]2[n:13][c:14]([NH:24][CH2:25][CH2:26][c:27]3[cH:28][cH:29][c:30]([OH:33])[cH:31][cH:32]3)[n:15][c:16]([N:18]3[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]3)[n:17]2)[CH3:34])[cH:6][cH:7]1.[Cl:45][CH2:46][c:47]1[n:48][cH:49][cH:50][cH:51][cH:52]1.[Cl:56][CH2:57][Cl:58].[ClH:44]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][N:11]([c:12]2[n:13][c:14]([NH:24][CH2:25][CH2:26][c:27]3[cH:28][cH:29][c:30]([OH:33])[cH:31][cH:32]3)[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([CH2:46][c:47]4[n:48][cH:49][cH:50][cH:51][cH:52]4)[CH2:22][CH2:23]3)[n:17]2)[CH3:34])[cH:6][cH:7]1