HRID85769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID4113

Methoxyamine

CH5NO

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

结构：Cn1cc(C(=O)O)cc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12

HCID69431875

5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carboxylic acid

C26H23ClN6O4

PRODUCTS

生成物

结构：CONC(=O)c1cc(-c2c3c(=O)n(C)c(=O)n(CC4CC4)c3nn2Cc2ccnc3ccc(Cl)cc23)n(C)c1

HCID58981082

5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-N-methoxy-1-methyl-1H-pyrrole-3-carboxamide

C27H26ClN7O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8616609932fa4b52a17bf6bc30fa1808
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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