HRID953249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID70683

Ethyl 2-methylalaninate

C6H13NO2

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)c1nc2ccc(OCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)nn2n1

HCID22989225

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)NC(=O)c1nc2ccc(OCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)nn2n1

HCID22989330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7dc55ded984744aaaff52a8405301259
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH:42]([CH3:43])[CH3:44])[CH3:45].[CH2:47]([CH3:48])[O:49][C:50]([C:51]([CH3:52])([CH3:53])[NH2:54])=[O:55].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[ClH:46].[OH2:56].[c:1]1([CH:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][O:18][c:19]3[cH:20][cH:21][c:22]4[n:23]([n:24]3)[n:25][c:26]([C:28](=[O:29])[OH:30])[n:27]4)[CH2:13][CH2:14]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][O:18][c:19]3[cH:20][cH:21][c:22]4[n:23]([n:24]3)[n:25][c:26]([C:28](=[O:29])[NH:54][C:51]([C:50]([O:49][CH2:47][CH3:48])=[O:55])([CH3:52])[CH3:53])[n:27]4)[CH2:13][CH2:14]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1