HRID669724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID117976

N(1),N(4)-Diethylputrescine

C8H20N2

结构：COc1cc(OC)c(F)c(N2Cc3cnc(S(C)=O)nc3N(C3CC3)C2=O)c1F

HCID18444694

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCCCNc1ncc2c(n1)N(C1CC1)C(=O)N(c1c(F)c(OC)cc(OC)c1F)C2

HCID10323850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15b87c80abc343d99cfad61633ea4daa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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