HRID2317884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C1Cc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2N1

HCID9055843

T5557536

C14H11ClN2O3S

HCID20761785

N-[2-(Diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide

C14H23N3O2

PRODUCTS

生成物

结构：CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc32)c1C

HCID67281996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80a7f31c3a544b9b88a957469b5795eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:22]([CH3:23])[N:24]([CH2:25][CH2:26][NH:27][C:28](=[O:29])[c:30]1[c:31]([CH3:38])[nH:32][c:33]([CH:36]=[O:37])[c:34]1[CH3:35])[CH2:39][CH3:40].[Cl:1][c:2]1[cH:3][c:4]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][c:14]3[c:18]([cH:19][cH:20]2)[NH:17][C:16](=[O:21])[CH2:15]3)[cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][c:14]3[c:18]([cH:19][cH:20]2)[NH:17][C:16](=[O:21])[C:15]3=[CH:36][c:33]2[nH:32][c:31]([CH3:38])[c:30]([C:28]([NH:27][CH2:26][CH2:25][N:24]([CH2:22][CH3:23])[CH2:39][CH3:40])=[O:29])[c:34]2[CH3:35])[cH:5][cH:6][cH:7]1