HRID102391

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID87184

4-Amino-3-chlorophenol

C6H6ClNO

HCID166653

Hydride

H-

HCID22936661

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc2c(Oc3ccc(N)c(Cl)c3)ccnc2cc1OCc1ccccc1

HCID22936786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-706907f5f8da4b708ccbcc4c067d348a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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