HRID187801

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID2776172

6-Isocyanato-2,3-dihydro-1,4-benzodioxine

C9H7NO3

结构：CN1CCN(CCCNCc2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2)CC1

HCID58001232

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(CCCN(Cc2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2)C(=O)Nc2ccc3c(c2)OCCO3)CC1

HCID58000978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1dfde1178a084970ba676715fa9275fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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