HRID1130185

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID738038

3-chloro-4-methoxybenzenemethanamine

C8H10ClNO

结构：CCn1ncc2c3c(Cl)nnc(N4CCC(O)CC4)c3cnc21

HCID20703336

未命名化合物

PRODUCTS

生成物

结构：CCn1ncc2c3c(NCc4ccc(OC)c(Cl)c4)nnc(N4CCC(O)CC4)c3cnc21

HCID10983515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f72a7b91ab274773b9e1153a518d3699
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:45][OH:46].[CH3:50][N:51]1[CH2:52][CH2:53][CH2:54][C:55]1=[O:56].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[c:3]2[c:4]([c:5]([N:8]3[CH2:9][CH2:10][CH:11]([OH:14])[CH2:12][CH2:13]3)[n:6][n:7]1)[cH:15][n:16][c:17]1[c:18]2[cH:19][n:20][n:21]1[CH2:22][CH3:23].[Cl:25][c:26]1[cH:27][c:28]([CH2:34][NH2:35])[cH:29][cH:30][c:31]1[O:32][CH3:33].[Cl:47][CH2:48][Cl:49].[ClH:24]>>[c:2]1([NH:35][CH2:34][c:28]2[cH:27][c:26]([Cl:25])[c:31]([O:32][CH3:33])[cH:30][cH:29]2)[c:3]2[c:4]([c:5]([N:8]3[CH2:9][CH2:10][CH:11]([OH:14])[CH2:12][CH2:13]3)[n:6][n:7]1)[cH:15][n:16][c:17]1[c:18]2[cH:19][n:20][n:21]1[CH2:22][CH3:23]