HRID1149849

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID12228

Methyl isocyanate

C2H3NO

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C(=O)NC(C(=O)N1CCC2NCC(Oc3ccc(F)c(F)c3)C21)C(C)(C)C)N(C)C(=O)OCc1ccccc1

HCID67606709

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)N1CC(Oc2ccc(F)c(F)c2)C2C1CCN2C(=O)C(NC(=O)C(C)N(C)C(=O)OCc1ccccc1)C(C)(C)C

HCID67606741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90f9dd6c08b54a7582662cc355db9b6e
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

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