HRID1150486

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID8471

Triethylamine

C6H15N

结构：NCC1CC(n2cc(-c3cccc(OCc4ccccc4)c3)c3c(N)ncnc32)C1

HCID10157767

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NCC1CC(n2cc(-c3cccc(OCc4ccccc4)c3)c3c(N)ncnc32)C1

HCID67237705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c38cac3acb14fb28186877d3ac16891
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

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