HRID165763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID7128533

未命名化合物

结构：CC(C)N(C)C1CCC(N)C(CS(=O)(=O)c2ccccc2)C1

HCID68637341

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C)C1CCC(NC(=O)Cc2nc3ccccc3s2)C(CS(=O)(=O)c2ccccc2)C1

HCID77531469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-296ec59d8b3c41189d55e1341a65bf84
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

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