HRID199475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID545853

3-tert-Butoxy-3-oxopropanoic acid

C7H12O4

结构：COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCC(C)(C)O

HCID16718619

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCC(C)(C)OC(=O)CC(=O)OC(C)(C)C

HCID58858121

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc00bd3742af4a2d9dfc215b8d71d5e9
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:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37]([CH2:38][C:39](=[O:40])[OH:41])=[O:42].[CH:43]([N:44]=[C:45]=[N:46][CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]3[n:11][cH:12][n:13](-[c:18]4[cH:19][c:20]([O:30][CH3:31])[c:21]([O:24][CH2:25][C:26]([CH3:27])([CH3:28])[OH:29])[cH:22][cH:23]4)[c:14](=[O:17])[c:15]3[s:16]2)[cH:6][cH:7]1.[Cl:52][CH2:53][Cl:54]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]3[n:11][cH:12][n:13](-[c:18]4[cH:19][c:20]([O:30][CH3:31])[c:21]([O:24][CH2:25][C:26]([CH3:27])([CH3:28])[O:29][C:39]([CH2:38][C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:42])=[O:40])[cH:22][cH:23]4)[c:14](=[O:17])[c:15]3[s:16]2)[cH:6][cH:7]1