HRID316318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID13345

Triethyl phosphonoacetate

C8H17O5P

HCID166653

Hydride

H-

结构：Cc1ccc(S(=O)(=O)N2CCCC(=O)c3ccccc32)cc1

HCID266852

1-(4-Methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one

C17H17NO3S

PRODUCTS

生成物

结构：CCOC(=O)C=C1CCCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21

HCID54140834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ddf9d38e2ea4d24bd6778d9c24a56f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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