HRID297695

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8083

Morpholine

C4H9NO

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

结构：O=C(O)c1c(Nc2ccc3[nH]ncc3c2)nc(-c2cc[nH]n2)nc1-c1cccc(O)c1

HCID178524705

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1c(Nc2ccc3[nH]ncc3c2)nc(N2CCOCC2)nc1-c1cccc(O)c1

HCID59789728

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5dda3de83890476184347664a210118d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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