HRID2139255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID66669947

N4-[3-[(Dimethylamino)methyl]phenyl]-N6-methyl-4,6-pyrimidinediamine

C14H19N5

HCID86086993

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(CN(C)C)c3)ncn2)c1Cl

HCID56594867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5970803c148243e7b67ddd22cc90a428
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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