HRID202881

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2n1

HCID636411

Tenatoprazole

C16H18N4O3S

HCID11608172

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)OCCN(C)C(=O)n1c(S(=O)Cc2ncc(C)c(OC)c2C)nc2ccc(OC)nc21

HCID10029626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f4c13ed4b0747fa8da0ed40040d0e2c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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