HRID689853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID693792

1,2,2,6,6-Pentamethylpiperidin-4-amine

C10H22N2

结构：COc1cc(C(=O)O)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1

HCID21101166

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1

HCID9913417

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-414df5c096304ab6bbdf574975b973a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:24][N:25]([CH3:26])[CH2:27][CH2:28][CH2:29][N:30]=[C:31]=[N:32][CH2:33][CH3:34].[CH3:35][N:36]1[C:37]([CH3:45])([CH3:46])[CH2:38][CH:39]([NH2:44])[CH2:40][C:41]1([CH3:42])[CH3:43].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7](-[c:9]3[c:10]([O:18][CH3:19])[cH:11][c:12]([C:15](=[O:16])[OH:17])[cH:13][cH:14]3)[nH:8]2)[cH:20][c:21]1[Cl:22].[ClH:23].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7](-[c:9]3[c:10]([O:18][CH3:19])[cH:11][c:12]([C:15](=[O:16])[NH:44][CH:39]4[CH2:38][C:37]([CH3:45])([CH3:46])[N:36]([CH3:35])[C:41]([CH3:42])([CH3:43])[CH2:40]4)[cH:13][cH:14]3)[nH:8]2)[cH:20][c:21]1[Cl:22]