HRID134655

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7917

Isopropyl chloroformate

C4H7ClO2

HCID7972

4-Methylmorpholine

C5H11NO

HCID8083

Morpholine

C4H9NO

HCID8471

Triethylamine

C6H15N

HCID11831466

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1ncn2c(=O)n(CC(=O)N3CCOCC3)nnc12

HCID44128651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3f3883889c64d6bb2cc39c4d0562a0f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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