HRID91954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：COc1cc(Nc2nc3c(c(C(C)n4nc(C)cc4C)n2)CN(C(=O)OC(C)(C)C)CC3)ccc1-n1cnc(C)c1

HCID59333720

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Nc2nc3c(c(C(C)n4nc(C)cc4C)n2)CNCC3)ccc1-n1cnc(C)c1

HCID59333757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a99816a48ea8482fa252132e1221c498
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

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