HRID2162854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID12109133

4-[[2-(dimethylamino)ethoxy](phenyl)methyl]benzoyl chloride

C18H20ClNO2

HCID21973808

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N)c2ncn(CCCCNC(=O)c3ccc(C(OCCN(C)C)c4ccccc4)cc3)c2c1C

HCID10239351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2ed5fc58200475f888cf0321451ac6b
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

[CH3:1][N:2]([CH2:3][CH2:4][O:5][CH:6]([c:7]1[cH:8][cH:9][c:10]([C:11](=[O:12])[Cl:13])[cH:14][cH:15]1)[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[CH3:22].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[NH2:23][c:24]1[n:25][c:26]([CH3:39])[c:27]([CH3:38])[c:28]2[c:29]1[n:30][cH:31][n:32]2[CH2:33][CH2:34][CH2:35][CH2:36][NH2:37].[OH2:47]>>[CH3:1][N:2]([CH2:3][CH2:4][O:5][CH:6]([c:7]1[cH:8][cH:9][c:10]([C:11](=[O:12])[NH:37][CH2:36][CH2:35][CH2:34][CH2:33][n:32]2[c:28]3[c:27]([CH3:38])[c:26]([CH3:39])[n:25][c:24]([NH2:23])[c:29]3[n:30][cH:31]2)[cH:14][cH:15]1)[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[CH3:22]