HRID2329359

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID7520

Benzene, (methylthio)-

C7H8S

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

结构：COc1ccc(CN2C(=O)C3CC=CCC2C(=O)N3c2ccc3ccccc3c2)c(OC)c1

HCID178490838

未命名化合物

PRODUCTS

生成物

HCID69234221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21076e3759a3416985d37af1fb2bb2ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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