HRID2129804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID30165

Iodide ion

I-

HCID74499

Trimethylsulfoxonium

C3H9OS+

HCID166653

Hydride

H-

结构：COCCCCn1c(C(=O)N(CC(C)C)C2CC(C=O)CN(C(=O)OC(C)(C)C)C2)nc2ccccc21

HCID76731630

未命名化合物

PRODUCTS

生成物

结构：COCCCCn1c(C(=O)N(CC(C)C)C2CC(C3CO3)CN(C(=O)OC(C)(C)C)C2)nc2ccccc21

HCID178495022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa00a59777ca49bea41828b0801ac195
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:2][S+:3]([CH3:4])([CH3:5])=[O:6].[CH3:48][S:49]([CH3:50])=[O:51].[CH:9](=[O:10])[CH:11]1[CH2:12][N:13]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:14][CH:15]([N:17]([CH2:18][CH:19]([CH3:20])[CH3:21])[C:22](=[O:23])[c:24]2[n:25][c:26]3[c:27]([n:28]2[CH2:29][CH2:30][CH2:31][CH2:32][O:33][CH3:34])[cH:35][cH:36][cH:37][cH:38]3)[CH2:16]1.[Cl-:46].[H-:7].[I-:1].[NH4+:47].[Na+:8]>>[CH2:2]1[CH:9]([CH:11]2[CH2:12][N:13]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:14][CH:15]([N:17]([CH2:18][CH:19]([CH3:20])[CH3:21])[C:22](=[O:23])[c:24]3[n:25][c:26]4[c:27]([n:28]3[CH2:29][CH2:30][CH2:31][CH2:32][O:33][CH3:34])[cH:35][cH:36][cH:37][cH:38]4)[CH2:16]2)[O:10]1