HRID2327231

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

结构：CC(C)CN1C(=O)C(CC(=O)O)OC(c2ccccc2Cl)c2cc(Cl)ccc21

HCID10137030

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN1C(=O)C(CC(N)=O)OC(c2ccccc2Cl)c2cc(Cl)ccc21

HCID57169889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb1ce6cf687a49f4838e36db3ec62393
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

[CH2:32]([N:34]=[C:33]=[N:35][CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[CH3:41])[CH3:42].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[Cl-:29].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:28]1)[CH:7]([c:21]1[c:22]([Cl:27])[cH:23][cH:24][cH:25][cH:26]1)[O:8][CH:9]([CH2:17][C:18](=[O:19])[OH:20])[C:10](=[O:16])[N:11]2[CH2:12][CH:13]([CH3:14])[CH3:15].[ClH:31].[NH4+:30].[OH2:55]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:28]1)[CH:7]([c:21]1[c:22]([Cl:27])[cH:23][cH:24][cH:25][cH:26]1)[O:8][CH:9]([CH2:17][C:18](=[O:19])[NH2:34])[C:10](=[O:16])[N:11]2[CH2:12][CH:13]([CH3:14])[CH3:15]