HRID92591

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

2 次

HCID674

Dimethylamine

C2H7N

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

结构：CC(C)(C)OC(=O)c1c(COc2ccc(-c3ccc(CC(=O)O)cc3)cc2)ccc(C(F)(F)F)c1O

HCID11555148

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)Cc1ccc(-c2ccc(OCc3ccc(C(F)(F)F)c(O)c3C(=O)OC(C)(C)C)cc2)cc1

HCID86617416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92bcbd4d686e4e80a9ecb06e45c841b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[c:34]1[c:35]([CH2:36][O:37][c:38]2[cH:39][cH:40][c:41](-[c:44]3[cH:45][cH:46][c:47]([CH2:50][C:51](=[O:52])[OH:53])[cH:48][cH:49]3)[cH:42][cH:43]2)[cH:54][cH:55][c:56]([C:59]([F:60])([F:61])[F:62])[c:57]1[OH:58].[CH2:6]([N:7]=[C:8]=[N:9][CH2:10][CH2:11][CH2:12][N:13]([CH3:14])[CH3:15])[CH3:16].[CH3:2][NH:3][CH3:4].[CH3:65][C:66]#[N:67].[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[Cl-:63].[ClH:1].[ClH:5].[NH4+:64].[OH:17][c:18]1[c:19]2[n:20][n:21][nH:22][c:23]2[cH:24][cH:25][cH:26]1>>[CH3:2][N:3]([CH3:4])[C:51]([CH2:50][c:47]1[cH:46][cH:45][c:44](-[c:41]2[cH:40][cH:39][c:38]([O:37][CH2:36][c:35]3[c:34]([C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[c:57]([OH:58])[c:56]([C:59]([F:60])([F:61])[F:62])[cH:55][cH:54]3)[cH:43][cH:42]2)[cH:49][cH:48]1)=[O:52]