HRID1537585

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID674

Dimethylamine

C2H7N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CCCCN1C(=O)C(Nc2ccc3oc(C(=O)O)cc3c2)=C(c2ccccc2)S1(=O)=O

HCID11640734

未命名化合物

PRODUCTS

生成物

结构：CCCCN1C(=O)C(Nc2ccc3oc(C(=O)N(C)C)cc3c2)=C(c2ccccc2)S1(=O)=O

HCID11576363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b434e23d2706465aba7726593570be30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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