HRID2152008

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID2756371

tert-Butyl 6-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate

C14H20N2O2

结构：COc1ccc(C(=O)N(C)Cc2cccc(C(=O)O)c2)cc1OC

HCID59190884

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)N(C)Cc2cccc(C(=O)Nc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)c2)cc1OC

HCID59190822

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddbbe9402a574850883305ee3b32f572
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[N:32]1[CH2:33][c:34]2[cH:35][cH:36][c:37]([NH2:42])[cH:38][c:39]2[CH2:40][CH2:41]1.[CH2:43]([Cl:44])[CH2:45][Cl:46].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]([CH3:9])[CH2:10][c:11]2[cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18][cH:19]2)[cH:20][cH:21][c:22]1[O:23][CH3:24].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH:47][n:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][cH:54]2)[n:55][n:56]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]([CH3:9])[CH2:10][c:11]2[cH:12][c:13]([C:14](=[O:15])[NH:42][c:37]3[cH:36][cH:35][c:34]4[c:39]([cH:38]3)[CH2:40][CH2:41][N:32]([C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[CH2:33]4)[cH:17][cH:18][cH:19]2)[cH:20][cH:21][c:22]1[O:23][CH3:24]