HRID1120246

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID10969393

未命名化合物

HCID22989218

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCNC(=O)c1cn2nc(NCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)ccc2n1

HCID22989251

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1a6ac683df84266be073abe20a3bad2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:25]([CH3:26])[O:27][C:28]([CH2:29][CH2:30][NH:31][C:32](=[O:33])[c:34]1[n:35][c:36]2[n:37]([n:38][c:39]([Cl:42])[cH:40][cH:41]2)[cH:43]1)=[O:44].[CH2:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH:50]([CH3:51])[CH3:52])[CH3:53].[CH3:55][N:56]1[CH2:57][CH2:58][CH2:59][C:60]1=[O:61].[OH2:54].[c:1]1([CH:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][NH2:18])[CH2:13][CH2:14]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][NH:18][c:39]3[n:38][n:37]4[c:36]([n:35][c:34]([C:32]([NH:31][CH2:30][CH2:29][C:28]([O:27][CH2:25][CH3:26])=[O:44])=[O:33])[cH:43]4)[cH:41][cH:40]3)[CH2:13][CH2:14]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1