HRID147005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID736269

1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one

C12H17N3O

结构：Cc1ccc(S(=O)(=O)n2cc(C)c3c(Nc4ccc5cn[nH]c5c4)nc(Cl)nc32)cc1

HCID86628037

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(c2ccc(Nc3nc(Nc4ccc5cn[nH]c5c4)c4c(C)cn(S(=O)(=O)c5ccc(C)cc5)c4n3)cc2)CC1

HCID68580170

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-988a6ef06c9543bdb8d4157c765585f4
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

[CH2:53]([OH:54])[CH2:55][CH2:56][CH3:57].[CH3:48][Si:49]([Cl:50])([CH3:51])[CH3:52].[Cl:1][c:2]1[n:3][c:4]([NH:22][c:23]2[cH:24][cH:25][c:26]3[cH:27][n:28][nH:29][c:30]3[cH:31]2)[c:5]2[c:6]([n:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:19])[cH:20][cH:21]1)[cH:9][c:10]2[CH3:11].[NH2:32][c:33]1[cH:34][cH:35][c:36]([N:39]2[CH2:40][CH2:41][N:42]([C:45]([CH3:46])=[O:47])[CH2:43][CH2:44]2)[cH:37][cH:38]1>>[c:2]1([NH:32][c:33]2[cH:34][cH:35][c:36]([N:39]3[CH2:40][CH2:41][N:42]([C:45]([CH3:46])=[O:47])[CH2:43][CH2:44]3)[cH:37][cH:38]2)[n:3][c:4]([NH:22][c:23]2[cH:24][cH:25][c:26]3[cH:27][n:28][nH:29][c:30]3[cH:31]2)[c:5]2[c:6]([n:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:19])[cH:20][cH:21]1)[cH:9][c:10]2[CH3:11]