HRID682951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)C(CC1CCCC1)n1ncc(Oc2ccccc2C(F)(F)F)cc1=O

HCID57919139

未命名化合物

HCID59344938

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)Cn1ccc(NC(=O)C(CC2CCCC2)n2ncc(Oc3ccccc3C(F)(F)F)cc2=O)n1

HCID44463502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b82b042e04254616afc9ce02ccb36e50
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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