HRID1137953

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6398

Dimethyldichlorosilane

C2H6Cl2Si

HCID7915

Isopropyl acetate

C5H10O2

HCID8071

未命名化合物

HCID23994

Zinc

HCID24648

Sulfuryl chloride

Cl2O2S

HCID11974006

(2-(4-(Trifluoromethyl)phenyl)thiazole-4,5-diyl)dimethanol

C12H10F3NO2S

结构：CCOC(=O)C(C)(C)Oc1ccc(S(=O)(=O)Cl)cc1

HCID17951805

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CO)cc1

HCID11975785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78727457f72147e0a3af3c2f3ff9beb7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:50]([O:51][CH:52]([CH3:53])[CH3:54])(=[O:55])[CH3:56].[CH3:58][O:59][CH2:60][CH2:61][O:62][CH3:63].[Cl:21][Si:22]([Cl:23])([CH3:24])[CH3:25].[Cl:2][S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9]([O:10][C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20]1.[OH2:1].[OH:31][CH2:32][c:33]1[c:34]([CH2:48][OH:49])[n:35][c:36](-[c:38]2[cH:39][cH:40][c:41]([C:44]([F:45])([F:46])[F:47])[cH:42][cH:43]2)[s:37]1.[S:26]([Cl:27])([Cl:28])(=[O:29])=[O:30].[Zn:57]>>[S:3]([c:6]1[cH:7][cH:8][c:9]([O:10][C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20]1)[CH2:32][c:33]1[c:34]([CH2:48][OH:49])[n:35][c:36](-[c:38]2[cH:39][cH:40][c:41]([C:44]([F:45])([F:46])[F:47])[cH:42][cH:43]2)[s:37]1