HRID168816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID98388

2-(2-Aminoethyl)-1-methylpyrrolidine

C7H16N2

结构：COc1ccc(S(=O)(=O)N2CC(C(=O)O)c3ccccc32)c2ccccc12

HCID68769872

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N2CC(C(=O)NCCC3CCCN3C)c3ccccc32)c2ccccc12

HCID9870342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e10ab85cb1ca4a5a919c42d4a72b8ddb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:13](=[O:14])(=[O:15])[N:16]2[CH2:17][CH:18]([C:25](=[O:26])[OH:27])[c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]32)[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12.[CH3:38][N:39]1[CH:40]([CH2:44][CH2:45][NH2:46])[CH2:41][CH2:42][CH2:43]1.[Cl:48][CH2:49][Cl:50].[OH2:47].[OH:28][n:29]1[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:13](=[O:14])(=[O:15])[N:16]2[CH2:17][CH:18]([C:25](=[O:27])[NH:46][CH2:45][CH2:44][CH:40]3[N:39]([CH3:38])[CH2:43][CH2:42][CH2:41]3)[c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]32)[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12