HRID2155515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID2735700

N-Boc-1,3-propanediamine

C8H18N2O2

反应SMILES：O=c1c2c(Cl)ccn2nc(C(Cl)C2CC2)n1Cc1ccccc1

HCID22180028

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)NCCCNC(c1nn2ccc(Cl)c2c(=O)n1Cc1ccccc1)C1CC1

HCID69591847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6a5cea3d7f3947ef8e6f36a83a3293a1
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH2:10][NH2:11])=[O:12].[CH2:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[n:20]1[c:21]([CH:31]([CH:32]2[CH2:33][CH2:34]2)[Cl:35])[n:22][n:23]2[c:24]([c:25]1=[O:26])[c:27]([Cl:30])[cH:28][cH:29]2.[CH3:36][N:37]1[CH2:38][CH2:39][CH2:40][C:41]1=[O:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH2:10][NH:11][CH:31]([c:21]1[n:20]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:25](=[O:26])[c:24]2[n:23]([n:22]1)[cH:29][cH:28][c:27]2[Cl:30])[CH:32]1[CH2:33][CH2:34]1)=[O:12]