HRID186942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID13364

Ethanamine, 2-chloro-N,N-diethyl-

C6H14ClN

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID10154211

未命名化合物

HCID22612203

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(Oc2ncccc2C(=O)NCc2ccc(C(C)(C)O)cc2)c1

HCID22612118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37cb25ebf9764bb9a484dd8638889e9d
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

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