HRID1216485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18314250

1-(Piperidin-4-yl)pyrrolidin-2-one

C9H16N2O

结构：O=C(O)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1

HCID67092525

未命名化合物

PRODUCTS

生成物

结构：O=C(Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1)N1CCC(N2CCCC2=O)CC1

HCID67092195

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a4fc196f71541a2a66eac8a4099699a
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

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