HRID695626

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

结构：Nc1ncc(Cl)cc1-c1cc(Cc2ccc(COc3ccccn3)cc2)on1

HCID59255252

未命名化合物

PRODUCTS

生成物

结构：Nc1ncccc1-c1cc(Cc2ccc(COc3ccccn3)cc2)on1

HCID59255293

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19b3880f826142ef83a6350d2b2d08a6
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

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