HRID1571369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID62325

2-Methylpropanoyl chloride

C4H7ClO

结构：CC(C)(C)OC(=O)N1CCC(Nc2c(N)cnc3c2ccn3S(=O)(=O)c2ccccc2)CC1

HCID67323281

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1CCN(C(=O)OC(C)(C)C)CC1

HCID67346675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-174e27de86b2495a9962cf2edec87de4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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