HRID2145122

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

HCID9935

Benzoic acid, 2-fluoro-

C7H5FO2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(NCC(=O)N1CCNCC1)c1ccc(Oc2ccccc2)cc1

HCID59559582

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Oc2ccccc2)cc1

HCID33466324

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f08029cf396d4d2599a08985fa23c811
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:20][CH2:21][N:22]=[C:23]=[N:24][CH2:25][CH2:26][CH2:27][N:28]([CH3:29])[CH3:30].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:41].[O:42]=[C:43]([CH2:44][NH:45][C:46]([c:47]1[cH:48][cH:49][c:50]([O:53][c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:51][cH:52]1)=[O:60])[N:61]1[CH2:62][CH2:63][NH:64][CH2:65][CH2:66]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[OH:10][C:11](=[O:12])[c:13]1[cH:14][cH:15][cH:16][cH:17][c:18]1[F:19].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1>>[C:11](=[O:12])([c:13]1[cH:14][cH:15][cH:16][cH:17][c:18]1[F:19])[N:64]1[CH2:63][CH2:62][N:61]([C:43](=[O:42])[CH2:44][NH:45][C:46]([c:47]2[cH:48][cH:49][c:50]([O:53][c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[cH:51][cH:52]2)=[O:60])[CH2:66][CH2:65]1