HRID1575108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID348269

4-Chloro-2-methylbenzoic acid

C8H7ClO2

HCID11521393

未命名化合物

结构：Cc1cccc(C)c1C(=O)NC(c1ccccc1)C1(N(C)C)CCOC1

HCID59347760

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Cl)ccc1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1

HCID59347782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8fd2959b0de644188e4637577ef8684c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:64](=[O:65])([OH:66])[O-:67].[CH3:17][N:18]([CH3:19])[C:20]1([CH:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[NH:28][C:29](=[O:30])[c:31]2[c:32]([CH3:33])[cH:34][cH:35][cH:36][c:37]2[CH3:38])[CH2:39][CH2:40][O:41][CH2:42]1.[Cl:43][c:44]1[cH:45][c:46]([CH3:53])[c:47]([C:48](=[O:49])[OH:50])[cH:51][cH:52]1.[Cl:69][CH2:70][Cl:71].[NH2:1][CH:2]([C:3]1([N:8]([CH3:9])[CH3:10])[CH2:4][CH2:5][CH2:6][CH2:7]1)[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[Na+:68].[OH:54][n:55]1[c:56]2[c:57]([cH:58][cH:59][cH:60][cH:61]2)[n:62][n:63]1>>[NH:1]([CH:2]([C:3]1([N:8]([CH3:9])[CH3:10])[CH2:4][CH2:5][CH2:6][CH2:7]1)[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:48]([c:47]1[c:46]([CH3:53])[cH:45][c:44]([Cl:43])[cH:52][cH:51]1)=[O:49]