HRID1565222

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID887

Methanol

CH4O

结构：O=C1COc2cc(Cl)c(CNCC3CN(CCn4c(=O)ccc5ccc(F)cc54)CC3O)nc2N1

HCID178516863

未命名化合物

PRODUCTS

生成物

HCID242

Benzoate

C7H5O2-

HCID178516863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf5dcf5755c24eac981c1470b44e9e1d
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

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