HRID1557237

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID418932

4-[2-(DIETHYLAMINO)ETHOXY]ANILINE

C12H20N2O

结构：CCN1C(=O)N(c2cc(OC)cc(OC)c2)Cc2cnc(S(C)=O)nc21

HCID68858127

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCOc1ccc(Nc2ncc3c(n2)N(CC)C(=O)N(c2cc(OC)cc(OC)c2)C3)cc1

HCID54113892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40370b37ee254f68be76d17b4bef8fda
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:27]([CH3:28])[N:29]([CH2:30][CH2:31][O:32][c:33]1[cH:34][cH:35][c:36]([NH2:37])[cH:38][cH:39]1)[CH2:40][CH3:41].[CH3:1][O:2][c:3]1[cH:4][c:5]([N:11]2[C:12](=[O:26])[N:13]([CH2:24][CH3:25])[c:14]3[n:15][c:16]([S:21]([CH3:22])=[O:23])[n:17][cH:18][c:19]3[CH2:20]2)[cH:6][c:7]([O:9][CH3:10])[cH:8]1.[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:56][C:57]#[N:58].[CH3:59][CH2:60][CH2:61][CH2:62][CH2:63][CH3:64].[OH:42][C:43]([C:44]([F:45])([F:46])[F:47])=[O:48]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([N:11]2[C:12](=[O:26])[N:13]([CH2:24][CH3:25])[c:14]3[n:15][c:16]([NH:37][c:36]4[cH:35][cH:34][c:33]([O:32][CH2:31][CH2:30][N:29]([CH2:27][CH3:28])[CH2:40][CH3:41])[cH:39][cH:38]4)[n:17][cH:18][c:19]3[CH2:20]2)[cH:6][c:7]([O:9][CH3:10])[cH:8]1