HRID2318317

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID18358

3-(Chloromethyl)pyridine

C6H6ClN

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(Cc3cccnc3)CC2)n1

HCID10144672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84b578c35f3440c4a6be9b4df2bf3902
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[CH3:53][OH:54].[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:36][CH2:37][c:38]1[cH:39][n:40][cH:41][cH:42][cH:43]1.[Cl:44][CH2:45][Cl:46].[ClH:35]>>[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]([CH2:37][c:38]4[cH:39][n:40][cH:41][cH:42][cH:43]4)[CH2:22][CH2:23]3)[n:17]2)[CH3:34])[cH:6][cH:7]1