HRID1536774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID81531

Diisopropylethylamine

C8H19N

HCID521305

1-Chloroethyl carbonochloridate

C3H4Cl2O2

结构：CCOC(=O)C=Cc1ccc(N(C(=O)OC(C)(C)C)C2CCN(Cc3ccccc3)C2)nc1

HCID178470985

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1ccc(N(C(=O)OC(C)(C)C)C2CCNC2)nc1

HCID178470978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-001e9b209b43494cbd4500fa830198e4
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

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