HRID1215521

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2063338

(3,5-Dimethyl-1,2-oxazol-4-yl)acetic acid

C7H9NO3

结构：CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(N)cc2F)CC1

HCID69303639

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Cc3c(C)noc3C)cc2F)CC1

HCID58870752

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba25d82585a74be985cd22b7170d127c
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

[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:11])[c:6]1[CH2:7][C:8](=[O:9])[OH:10].[NH2:17][c:18]1[cH:19][c:20]([F:44])[c:21]([N:24]2[CH2:25][CH2:26][CH:27]([CH:30]([C:31](=[O:32])[N:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[CH2:28][CH2:29]2)[cH:22][cH:23]1.[O:12]=[CH:13][N:14]([CH3:15])[CH3:16].[OH2:45]>>[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:11])[c:6]1[CH2:7][C:8](=[O:10])[NH:17][c:18]1[cH:19][c:20]([F:44])[c:21]([N:24]2[CH2:25][CH2:26][CH:27]([CH:30]([C:31](=[O:32])[N:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[CH2:28][CH2:29]2)[cH:22][cH:23]1