HRID214507

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

结构：CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1

HCID2471

Bumetanide

C17H20N2O5S

HCID7656

Dibenzylamine

C14H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

PRODUCTS

生成物

结构：CCCCNc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc(S(N)(=O)=O)c1Oc1ccccc1

HCID11504865

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-546e515fca61423090ce4e17fa6702bd
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

[CH2:26]([N:27]=[C:28]=[N:29][CH2:30][CH2:31][CH2:32][N:33]([CH3:34])[CH3:35])[CH3:36].[CH2:47]([c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[NH:54][CH2:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:1][CH2:2][CH2:3][CH2:4][NH:5][c:6]1[cH:7][c:8]([C:23]([OH:24])=[O:25])[cH:9][c:10]([S:19]([NH2:20])(=[O:21])=[O:22])[c:11]1[O:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[Cl-:62].[NH4+:63].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH3:1][CH2:2][CH2:3][CH2:4][NH:5][c:6]1[cH:7][c:8]([C:23](=[O:25])[N:54]([CH2:47][c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[CH2:55][c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:9][c:10]([S:19]([NH2:20])(=[O:21])=[O:22])[c:11]1[O:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1