HRID934242

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID10421026

4-(aminomethyl)-1-benzylpiperidin-4-ol

C13H20N2O

结构：CN(c1cccc2cc(C(=O)O)[nH]c12)S(=O)(=O)c1cccs1

HCID57475951

未命名化合物

PRODUCTS

生成物

结构：CN(c1cccc2cc(C(=O)NCC3(O)CCN(Cc4ccccc4)CC3)[nH]c12)S(=O)(=O)c1cccs1

HCID59136004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d58ebe7f9dd74a0ba9a7eba87f232bd4
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12](=[O:13])[OH:14])[nH:10][c:11]12)[S:15](=[O:16])(=[O:17])[c:18]1[s:19][cH:20][cH:21][cH:22]1.[CH3:34][N:35]([CH3:36])[CH2:37][CH2:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH3:44].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[ClH:33].[NH2:45][CH2:46][C:47]1([OH:60])[CH2:48][CH2:49][N:50]([CH2:53][c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[CH2:51][CH2:52]1.[Na+:61].[OH:62][C:63](=[O:64])[O-:65].[n:23]1([OH:24])[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[n:31][n:32]1>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12](=[O:13])[NH:45][CH2:46][C:47]3([OH:60])[CH2:48][CH2:49][N:50]([CH2:53][c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)[CH2:51][CH2:52]3)[nH:10][c:11]12)[S:15](=[O:16])(=[O:17])[c:18]1[s:19][cH:20][cH:21][cH:22]1