HRID671920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID123496

2-Acetoxyisobutyroyl chloride

C6H9ClO3

反应SMILES：Nc1ccc(NC(=O)C(CC2CCCC2)n2cnc(C(F)(F)F)c2)nc1

HCID67312842

未命名化合物

PRODUCTS

产物

反应SMILES：CC(=O)OC(C)(C)C(=O)Nc1ccc(NC(=O)C(CC2CCCC2)n2cnc(C(F)(F)F)c2)nc1

HCID67130861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f88d2ef9f3924f3aadb6fce3bfd01622
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

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