HRID803383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID712

Formaldehyde

CH2O

HCID887

Methanol

CH4O

结构：CC(C)(c1ccccc1Cl)c1nc(C2CCCN2)cn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1

HCID44177285

未命名化合物

PRODUCTS

生成物

结构：CN1CCCC1c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c(C(C)(C)c2ccccc2Cl)n1

HCID44177495

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fffce85db8f4435830fe6a2ecc7fc26
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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