HRID2138748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8110

Butyl isocyanate

C5H9NO

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)Cc1cc(-c2ccc(Cn3ccnc3)cc2)c(S(N)(=O)=O)s1

HCID11394744

未命名化合物

结构：CC(C)Cc1cc(-c2ccc(Cn3ccnc3)cc2)c(S(=O)(=O)NC(C)(C)C)s1

HCID11419042

3-(4-Imidazol-1-ylmethylphenyl)-5-iso-butyl-N-tert-butylthiophene-2-sulfonamide

C22H29N3O2S2

PRODUCTS

生成物

结构：CCCCNC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1

HCID10227337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3ad494247974fcf930db3ce4cea081b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:35]([NH:36][S:37]([c:38]1[s:39][c:40]([CH2:41][CH:42]([CH3:43])[CH3:44])[cH:45][c:46]1-[c:47]1[cH:48][cH:49][c:50]([CH2:51][n:52]2[cH:53][cH:54][n:55][cH:56]2)[cH:57][cH:58]1)(=[O:59])=[O:60])([CH3:61])([CH3:62])[CH3:63].[CH2:28]([CH2:29][CH2:30][CH3:31])[N:32]=[C:33]=[O:34].[CH3:64][C:65](=[O:66])[CH3:67].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[Na+:27].[OH-:26].[n:1]1([CH2:6][c:7]2[cH:8][cH:9][c:10](-[c:13]3[c:14]([S:22](=[O:23])(=[O:24])[NH2:25])[s:15][c:16]([CH2:18][CH:19]([CH3:20])[CH3:21])[cH:17]3)[cH:11][cH:12]2)[cH:2][n:3][cH:4][cH:5]1>>[n:1]1([CH2:6][c:7]2[cH:8][cH:9][c:10](-[c:13]3[c:14]([S:22](=[O:23])(=[O:24])[NH:25][C:33]([NH:32][CH2:28][CH2:29][CH2:30][CH3:31])=[O:34])[s:15][c:16]([CH2:18][CH:19]([CH3:20])[CH3:21])[cH:17]3)[cH:11][cH:12]2)[cH:2][n:3][cH:4][cH:5]1