HRID2319980

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6371

Phosgene

CCl2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID200382

Phenethylamine, 4-(benzyloxy)-3-methoxy-

C16H19NO2

HCID4075526

1-cyclopropyl-2-methoxybenzene

C10H12O

PRODUCTS

生成物

结构：COc1cc(CCNC(=O)C2(c3ccccc3OC)CC2)ccc1OCc1ccccc1

HCID22406839

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6b75a84b0244a8b9ac1681cff085705
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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