HRID1207414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

结构：CCC(C(=O)c1ccc(N(CCN(CC)CC)S(C)(=O)=O)cc1)c1ccccc1

HCID21486672

未命名化合物

HCID178418255

未命名化合物

PRODUCTS

生成物

结构：CCC(c1ccccc1)C(O)(c1ccccc1)c1ccc(N(CCN(CC)CC)S(C)(=O)=O)cc1

HCID21486681

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e72d6dc0f8148a385f3912130c65d9a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:35][Mg:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][N:6]([c:7]1[cH:8][cH:9][c:10]([C:13]([CH:14]([CH2:15][CH3:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[O:23])[cH:11][cH:12]1)[S:24](=[O:25])(=[O:26])[CH3:27])[CH2:28][CH3:29].[CH2:30]([O:31][CH2:32][CH3:33])[CH3:34].[Cl-:43].[NH4+:44].[OH2:45]>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][N:6]([c:7]1[cH:8][cH:9][c:10]([C:13]([CH:14]([CH2:15][CH3:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)([OH:23])[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:11][cH:12]1)[S:24](=[O:25])(=[O:26])[CH3:27])[CH2:28][CH3:29]