HRID676774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

结构：COc1c(F)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12

HCID11196824

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

C12H11F2N3O3

HCID14099015

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

C11H22N2O2

PRODUCTS

生成物

结构：COc1c(N2CCC(C(C)NC(=O)OC(C)(C)C)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12

HCID21041204

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c201f6bee594294b2649daaabea4fd2
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:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26]([NH:27][CH:28]([CH3:29])[CH:30]1[CH2:31][NH:32][CH2:33][CH2:34]1)=[O:35].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][S:44](=[O:45])[CH3:46].[NH2:1][n:2]1[c:3](=[O:20])[n:4]([CH:17]2[CH2:18][CH2:19]2)[c:5]2[c:6]([O:15][CH3:16])[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:20])[n:4]([CH:17]2[CH2:18][CH2:19]2)[c:5]2[c:6]([O:15][CH3:16])[c:7]([N:32]3[CH2:31][CH:30]([CH:28]([NH:27][C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:35])[CH3:29])[CH2:34][CH2:33]3)[c:8]([F:13])[cH:9][c:10]2[c:11]1=[O:12]