HRID1556847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID22293182

1-(Piperidin-4-yl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

C11H14N4O

结构：CC(C)(C)CCN1C(=O)C(CC(=O)O)SC1c1cccc(F)c1NCCN1CCOCC1

HCID86632318

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CCN1C(=O)C(CC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)SC1c1cccc(F)c1NCCN1CCOCC1

HCID178444717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40117a88323845fc9835ab29d6b01e3a
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

[CH2:49]([Cl:50])[CH2:51][Cl:52].[CH3:77][CH2:78][O:79][C:80]([CH3:81])=[O:82].[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[NH:33]1[CH2:34][CH2:35][CH:36]([n:39]2[c:40](=[O:48])[nH:41][c:42]3[n:43][cH:44][cH:45][cH:46][c:47]23)[CH2:37][CH2:38]1.[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][NH:9][c:10]2[c:11]([CH:17]3[S:18][CH:19]([CH2:29][C:30](=[O:31])[OH:32])[C:20](=[O:28])[N:21]3[CH2:22][CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:12][cH:13][cH:14][c:15]2[F:16])[CH2:5][CH2:6]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH:53][n:54]1[c:55]2[c:56]([cH:57][cH:58][cH:59][cH:60]2)[n:61][n:62]1>>[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][NH:9][c:10]2[c:11]([CH:17]3[S:18][CH:19]([CH2:29][C:30](=[O:32])[N:33]4[CH2:34][CH2:35][CH:36]([n:39]5[c:40](=[O:48])[nH:41][c:42]6[n:43][cH:44][cH:45][cH:46][c:47]56)[CH2:37][CH2:38]4)[C:20](=[O:28])[N:21]3[CH2:22][CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:12][cH:13][cH:14][c:15]2[F:16])[CH2:5][CH2:6]1