HRID1143375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

结构：CC(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O

HCID11421263

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O

HCID5330276

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bd9ffc89e3e4f87b0613e56fb7a5522
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

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