HRID210410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)c1ccc2c(c1)ncn2-c1ccc(OCCOc2ccccn2)cc1

HCID57639714

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCO)c1ccc2c(c1)ncn2-c1ccc(OCCOc2ccccn2)cc1

HCID67012607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b14f453db3d34518a506f3d78ee5743d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:29][CH:30]([N:31]=[C:32]=[N:33][CH:34]([CH3:35])[CH3:36])[CH3:37].[CH3:51][N:52]([c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1)[CH3:59].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:65][CH2:66][Cl:67].[NH2:38][CH2:39][CH2:40][OH:41].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[n:1]1[c:2]([O:7][CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14](-[n:17]3[cH:18][n:19][c:20]4[c:21]3[cH:22][cH:23][c:24]([C:26](=[O:27])[OH:28])[cH:25]4)[cH:15][cH:16]2)[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([O:7][CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14](-[n:17]3[cH:18][n:19][c:20]4[c:21]3[cH:22][cH:23][c:24]([C:26](=[O:27])[NH:38][CH2:39][CH2:40][OH:41])[cH:25]4)[cH:15][cH:16]2)[cH:3][cH:4][cH:5][cH:6]1