HRID690636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID76727

Morpholine, 4-(2-chloroethyl)-

C6H12ClNO

结构：COc1cc2c(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3)ccnc2cc1O

HCID135780251

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3)ccnc2cc1OCCN1CCOCC1

HCID44382806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aadda0d323eb447fb0a2842c9a3ec1b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:37](=[O:38])([O-:39])[O-:40].[C:6]([CH3:7])([CH3:8])([CH3:9])[c:10]1[cH:11][cH:12][c:13]([NH:14][c:15]2[cH:16][cH:17][c:18]([O:19][c:20]3[cH:21][cH:22][n:23][c:24]4[cH:25][c:26]([OH:32])[c:27]([O:30][CH3:31])[cH:28][c:29]34)[cH:33][cH:34]2)[cH:35][cH:36]1.[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:44][CH2:45][CH2:46][N:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[ClH:43].[K+:41].[K+:42].[OH2:59]>>[C:6]([CH3:7])([CH3:8])([CH3:9])[c:10]1[cH:11][cH:12][c:13]([NH:14][c:15]2[cH:16][cH:17][c:18]([O:19][c:20]3[cH:21][cH:22][n:23][c:24]4[cH:25][c:26]([O:32][CH2:45][CH2:46][N:47]5[CH2:48][CH2:49][O:50][CH2:51][CH2:52]5)[c:27]([O:30][CH3:31])[cH:28][c:29]34)[cH:33][cH:34]2)[cH:35][cH:36]1