HRID1149935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1485

Benzenemethanamine, 2,4-dichloro-

C7H7Cl2N

HCID6344

Dichloromethane

CH2Cl2

HCID7525

N-Ethylmorpholine

C6H13NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID67103621

未命名化合物

PRODUCTS

生成物

结构：COc1ccnc(N2CC(C(=O)NCc3ccc(Cl)cc3Cl)N(C)C2=O)n1

HCID25095697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24518bdbfced47a1a545a2a855798f9f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:63](=[O:64])([O-:65])[OH:66].[CH2:19]([N:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1)[CH3:26].[CH2:39]([N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48])[CH3:49].[CH3:1][N:2]1[C:3](=[O:18])[N:4]([c:10]2[n:11][cH:12][cH:13][c:14]([O:16][CH3:17])[n:15]2)[CH2:5][CH:6]1[C:7](=[O:8])[OH:9].[Cl:50][c:51]1[c:52]([CH2:58][NH2:59])[cH:53][cH:54][c:55]([Cl:57])[cH:56]1.[Cl:60][CH2:61][Cl:62].[ClH:38].[Na+:67].[OH2:27].[OH:28][n:29]1[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[CH3:1][N:2]1[C:3](=[O:18])[N:4]([c:10]2[n:11][cH:12][cH:13][c:14]([O:16][CH3:17])[n:15]2)[CH2:5][CH:6]1[C:7](=[O:9])[NH:59][CH2:58][c:52]1[c:51]([Cl:50])[cH:56][c:55]([Cl:57])[cH:54][cH:53]1