HRID185545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID313

Hydrochloric Acid

ClH

HCID784

Hydrogen peroxide

H2O2

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

结构：Cn1c(=O)c2c(ncn2CC(O)CN2CCN(CCCSc3ccccc3)CC2)n(C)c1=O

HCID54424

7-(2-Hydroxy-3-{4-[3-(phenylsulfanyl)propyl]piperazin-1-yl}propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

C23H32N6O3S

PRODUCTS

生成物

结构：Cn1c(=O)c2c(ncn2CC(O)CN2CCN(CCCS(=O)c3ccccc3)CC2)n(C)c1=O

HCID14457517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b2eea445ad842f78757b092c33db545
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:2][n:3]1[c:4](=[O:34])[n:5]([CH3:33])[c:6]2[n:7][cH:8][n:9]([CH2:13][CH:14]([CH2:15][N:16]3[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][CH2:24][S:25][c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[CH2:20][CH2:21]3)[OH:32])[c:10]2[c:11]1=[O:12].[CH3:41][OH:42].[Cl:38][CH2:39][Cl:40].[ClH:1].[NH4+:44].[OH-:43].[OH2:37].[OH:35][OH:36]>>[CH3:2][n:3]1[c:4](=[O:34])[n:5]([CH3:33])[c:6]2[n:7][cH:8][n:9]([CH2:13][CH:14]([CH2:15][N:16]3[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][CH2:24][S:25]([c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)=[O:35])[CH2:20][CH2:21]3)[OH:32])[c:10]2[c:11]1=[O:12]