HRID139736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

结构：Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C

HCID7308

4,4'-Thiobis(6-tert-butyl-m-cresol)

C22H30O2S

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1nc(SC)nc2c1c(C)cn2Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1

HCID18918982

未命名化合物

PRODUCTS

生成物

结构：CSc1nc2c(c(C)cn2Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(=O)[nH]1

HCID135667582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2264d969dbc4688868319b1cf92e190
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

[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([CH2:12][n:13]3[cH:14][c:15]([CH3:26])[c:16]4[c:17]3[n:18][c:19]([S:24][CH3:25])[n:20][c:21]4[O:22][CH3:23])[cH:27][cH:28]2)[cH:29][cH:30]1.[O:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[OH2:56].[S:31]([c:32]1[c:33]([CH3:34])[cH:35][c:36]([OH:37])[c:38]([C:39]([CH3:40])([CH3:41])[CH3:42])[cH:43]1)[c:44]1[c:45]([CH3:46])[cH:47][c:48]([OH:49])[c:50]([C:51]([CH3:52])([CH3:53])[CH3:54])[cH:55]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([CH2:12][n:13]3[cH:14][c:15]([CH3:26])[c:16]4[c:17]3[n:18][c:19]([S:24][CH3:25])[nH:20][c:21]4=[O:22])[cH:27][cH:28]2)[cH:29][cH:30]1