HRID675046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

结构：CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3c(C(F)(F)F)nnn3Cc3ccccc3)CC2)nn1

HCID66849535

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3[nH]nnc3C(F)(F)F)CC2)nn1

HCID178446490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a63481a21664bb389eef0d4b3ee3305
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

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