HRID164626

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID31268

Pyrrolidine

C4H9N

结构：Cc1c(F)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12

HCID11161463

3-amino-1-cyclopropyl-6,7-difluoro-8-methyl-1H-quinazoline-2,4-dione

C12H11F2N3O2

HCID14099015

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

C11H22N2O2

PRODUCTS

生成物

结构：Cc1c(N2CCC(C(C)NC(=O)OC(C)(C)C)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12

HCID21041203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a36c664812fc42a9b2a6b2fda596fa9c
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

[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25]([NH:26][CH:27]([CH3:28])[CH:29]1[CH2:30][NH:31][CH2:32][CH2:33]1)=[O:34].[CH2:42]1[CH2:43][NH:44][CH2:45][CH2:46]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:48][S:49](=[O:50])[CH3:51].[NH2:1][n:2]1[c:3](=[O:19])[n:4]([CH:16]2[CH2:17][CH2:18]2)[c:5]2[c:6]([CH3:15])[c:7]([F:14])[c:8]([F:13])[cH:9][c:10]2[c:11]1=[O:12].[OH2:47]>>[NH2:1][n:2]1[c:3](=[O:19])[n:4]([CH:16]2[CH2:17][CH2:18]2)[c:5]2[c:6]([CH3:15])[c:7]([N:31]3[CH2:30][CH:29]([CH:27]([NH:26][C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:34])[CH3:28])[CH2:33][CH2:32]3)[c:8]([F:13])[cH:9][c:10]2[c:11]1=[O:12]