HRID174183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCC1CCNCC1

HCID58960220

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCC1CCN(C(C)=O)CC1

HCID58960258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-468ed124cf3f45febaaf30ddf1234759
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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