HRID212254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7134

Benzeneacetic acid, 2-methoxy-

C9H10O3

HCID8471

Triethylamine

C6H15N

HCID5250894

未命名化合物

结构：OC1(c2ccccc2)CCC(c2ccccc2)(c2ccccc2)C2CNCC21

HCID178514947

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1CC(=O)C1NCC2C1C(c1ccccc1)(c1ccccc1)CCC2(O)c1ccccc1

HCID178489461

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1e307bb104e41aabaf5b18ef8b9fcb9
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

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