HRID1133917

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)Nc1cc(F)c(F)cc1C(=O)NCC(=O)NCC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1

HCID18426159

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cc(F)c(F)cc1C(=O)NCC(=O)NCC1CCN(Cc2ccc(Cl)c(N)c2)CC1

HCID18426277

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b43a2b95c87a4256966334360eff205a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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