HRID1545902

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

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID29920820

(3,4-Difluoro-5-methoxyphenyl)acetic acid

C9H8F2O3

HCID67391553

未命名化合物

PRODUCTS

生成物

结构：CCc1c(C(=O)NNC(=O)Cc2cc(F)c(F)c(OC)c2)ccc(OCc2ccccc2)c1C

HCID67391618

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-183c2f111f1c4ef6abd04dd85c869dc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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