HRID1209012

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID117637

Benzoyl chloride, 2-chloro-5-nitro-

C7H3Cl2NO3

HCID2770922

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)c1cc([N+](=O)[O-])ccc1Cl

HCID3565698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da07d4b12e6c4623920beab8a497de2c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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