HRID700806

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

HCID8857

Ethyl acetate

C4H8O2

HCID75255

4-(alpha,alpha,alpha-Trifluoro-m-tolyl)piperidin-4-ol

C12H14F3NO

HCID3046611

1H-benzimidazol-5-ylacetic acid

C9H8N2O2

PRODUCTS

生成物

结构：O=C(Cc1ccc2[nH]cnc2c1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1

HCID178520193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-025b0ecc4eb84dacba701a7c7fa06f9e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[OH2:49].[OH:14][C:15]1([c:21]2[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]2)[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[nH:1]1[cH:2][n:3][c:4]2[c:5]1[cH:6][c:7]([CH2:10][C:11](=[O:12])[OH:13])[cH:8][cH:9]2>>[n:1]1[cH:2][nH:3][c:4]2[c:5]1[cH:6][c:7]([CH2:10][C:11](=[O:13])[N:18]1[CH2:17][CH2:16][C:15]([OH:14])([c:21]3[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]3)[CH2:20][CH2:19]1)[cH:8][cH:9]2