HRID99411

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-

HCID22936981

未命名化合物

PRODUCTS

生成物

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

HCID22936317

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1ee7768dfcd4ae8b97ce17812becea0
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]([CH3:13])[NH:14][C:15](=[O:16])[c:17]1[cH:18][c:19]2[c:20]([Cl:35])[cH:21][cH:22][n:23][c:24]2[cH:25][c:26]1[O:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][S:43]([CH3:44])=[O:45].[H-:10].[NH2:1][c:2]1[c:3]([Cl:9])[cH:4][c:5]([OH:8])[cH:6][cH:7]1.[Na+:11].[OH2:46]>>[NH2:1][c:2]1[c:3]([Cl:9])[cH:4][c:5]([O:8][c:20]2[c:19]3[cH:18][c:17]([C:15]([NH:14][CH2:12][CH3:13])=[O:16])[c:26]([O:27][CH2:28][c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[cH:25][c:24]3[n:23][cH:22][cH:21]2)[cH:6][cH:7]1