HRID1144134

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID937057

5-Chloro-1-naphthoic acid

C11H7ClO2

结构：NC(Cc1ccc(CC(F)(F)C(F)(F)F)cc1)C(O)c1cccc(Cl)c1

HCID22261679

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(Cc1ccc(CC(F)(F)C(F)(F)F)cc1)C(O)c1cccc(Cl)c1)c1cccc2c(Cl)cccc12

HCID22262220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9e23ab32734403891bee2a27eeacff3
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

[CH2:16]([N:17]=[C:18]=[N:19][CH2:20][CH2:21][CH2:22][N:23]([CH3:24])[CH3:25])[CH3:26].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[Cl:1][c:2]1[c:3]2[cH:4][cH:5][cH:6][c:7]([C:12](=[O:13])[OH:14])[c:8]2[cH:9][cH:10][cH:11]1.[ClH:15].[NH2:38][CH:39]([CH:40]([OH:41])[c:42]1[cH:43][c:44]([Cl:48])[cH:45][cH:46][cH:47]1)[CH2:49][c:50]1[cH:51][cH:52][c:53]([CH2:56][C:57]([C:58]([F:59])([F:60])[F:61])([F:62])[F:63])[cH:54][cH:55]1.[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>>[Cl:1][c:2]1[c:3]2[cH:4][cH:5][cH:6][c:7]([C:12](=[O:14])[NH:38][CH:39]([CH:40]([OH:41])[c:42]3[cH:43][c:44]([Cl:48])[cH:45][cH:46][cH:47]3)[CH2:49][c:50]3[cH:51][cH:52][c:53]([CH2:56][C:57]([C:58]([F:59])([F:60])[F:61])([F:62])[F:63])[cH:54][cH:55]3)[c:8]2[cH:9][cH:10][cH:11]1