HRID1555068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2906

Cyclopentylamine

C5H11N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(C(=O)O)cc3)n2)[nH]n1

HCID178428239

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(C(=O)NC4CCCC4)cc3)n2)[nH]n1

HCID178428238

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9bad4f4f2db4b2c9672a1ca31534957
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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