HRID1543978

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID10924

Butane, 1-iodo-3-methyl-

C5H11I

HCID166653

Hydride

H-

反应SMILES：O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(N3CCNC3=O)nn2)CC1

HCID11560801

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)CCN1CCN(c2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nn2)C1=O

HCID11684584

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ea0513e022b14b038051a293e692a11c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[F:1][C:2]([c:3]1[c:4]([C:5](=[O:6])[N:7]2[CH2:8][CH2:9][N:10]([c:13]3[cH:14][cH:15][c:16]([N:19]4[C:20](=[O:24])[NH:21][CH2:22][CH2:23]4)[n:17][n:18]3)[CH2:11][CH2:12]2)[cH:25][cH:26][cH:27][cH:28]1)([F:29])[F:30].[H-:31].[I:33][CH2:34][CH2:35][CH:36]([CH3:37])[CH3:38].[Na+:32].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:39]>>[F:1][C:2]([c:3]1[c:4]([C:5](=[O:6])[N:7]2[CH2:8][CH2:9][N:10]([c:13]3[cH:14][cH:15][c:16]([N:19]4[C:20](=[O:24])[N:21]([CH2:34][CH2:35][CH:36]([CH3:37])[CH3:38])[CH2:22][CH2:23]4)[n:17][n:18]3)[CH2:11][CH2:12]2)[cH:25][cH:26][cH:27][cH:28]1)([F:29])[F:30]