HRID1231579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID9161545

4-(4-Isopropylpiperazin-1-yl)aniline

C13H21N3

HCID59464107

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCN(c2ccc(NC(=O)c3nnc(Nc4ccccc4F)o3)cc2)CC1

HCID11704527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f21b43c86e62431dbd73216eacf5e40f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57].[CH:21]([CH3:22])([CH3:23])[N:24]1[CH2:25][CH2:26][N:27]([c:30]2[cH:31][cH:32][c:33]([NH2:36])[cH:34][cH:35]2)[CH2:28][CH2:29]1.[F:1][c:2]1[c:3]([NH:8][c:9]2[n:10][n:11][c:12]([C:14]([O:16][CH2:15][CH3:17])=[O:18])[o:13]2)[cH:4][cH:5][cH:6][cH:7]1.[Na+:20].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH-:19].[OH2:58].[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1>>[F:1][c:2]1[c:3]([NH:8][c:9]2[n:10][n:11][c:12]([C:14](=[O:16])[NH:36][c:33]3[cH:32][cH:31][c:30]([N:27]4[CH2:26][CH2:25][N:24]([CH:21]([CH3:22])[CH3:23])[CH2:29][CH2:28]4)[cH:35][cH:34]3)[o:13]2)[cH:4][cH:5][cH:6][cH:7]1