HRID89128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID2059995

1-isocyanatoadamantane

C11H15NO

HCID16756168

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCC(Oc2ccc(F)cc2)CC1)NC12CC3CC(CC(C3)C1)C2

HCID11596176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35e02666e4014e6aa7d66df0ea4d2f44
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:16]12([N:26]=[C:27]=[O:28])[CH2:17][CH:18]3[CH2:19][CH:20]([CH2:21][CH:22]([CH2:23]1)[CH2:24]3)[CH2:25]2.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]2[CH2:8][CH2:9][CH:10]([NH2:13])[CH2:11][CH2:12]2)[cH:14][cH:15]1.[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:36]>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]2[CH2:8][CH2:9][CH:10]([NH:13][C:27]([NH:26][C:16]34[CH2:17][CH:18]5[CH2:19][CH:20]([CH2:21][CH:22]([CH2:23]3)[CH2:24]5)[CH2:25]4)=[O:28])[CH2:11][CH2:12]2)[cH:14][cH:15]1