HRID2139168

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

HCID76542

4-Amino-2,3-xylenol

C8H11NO

HCID166653

Hydride

H-

HCID22646519

未命名化合物

PRODUCTS

生成物

结构：Cc1c(N)ccc(Oc2ccnc3cc(OCc4ccccc4)c(C#N)cc23)c1C

HCID22936516

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-daa41ed3f1064d4d8c0159e29818377a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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