HRID1238272

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

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15655

Cyclopropane carboxylic acid

C4H6O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CCNCc1cc(C(F)(F)F)ccc1-c1cncc(CC(=O)OC)c1

HCID67212291

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1cc(C(F)(F)F)ccc1-c1cncc(CC(=O)OC)c1)C(=O)C1CC1

HCID67212307

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-425691acda6a408593253fdd8854778d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:33]([N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42])[CH3:43].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][n:7][cH:8][c:9](-[c:11]2[c:12]([CH2:21][NH:22][CH2:23][CH3:24])[cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:10]1)=[O:25].[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[Cl-:65].[Cl:62][CH2:63][Cl:64].[ClH:32].[NH4+:66].[OH2:44].[OH:26][C:27](=[O:28])[CH:29]1[CH2:30][CH2:31]1.[OH:45][n:46]1[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][n:7][cH:8][c:9](-[c:11]2[c:12]([CH2:21][N:22]([CH2:23][CH3:24])[C:27](=[O:26])[CH:29]3[CH2:30][CH2:31]3)[cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:10]1)=[O:25]