HRID311377

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID18414107

未命名化合物

HCID21073380

未命名化合物

PRODUCTS

生成物

结构：O=c1ccc2ccc(OCCCCN3CCN(c4cccc5nc(C(F)(F)F)[nH]c45)CC3)nc2[nH]1

HCID178515657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c07c8e6cd0e49979cbf8c26a0d2c5d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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