HRID300438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID14099015

tert-Butyl [1-(pyrrolidin-3-yl)ethyl]carbamate

C11H22N2O2

结构：Nn1c(=O)c2cc(F)c(S(=O)(O)=S)nc2n(C2CC2)c1=O

HCID21979001

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)OC(C)(C)C)C1CCN(c2nc3c(cc2F)c(=O)n(N)c(=O)n3C2CC2)C1

HCID21041205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f3a7ca555d045f3a1c260aa5f9eeffa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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