HRID95925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CSc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)cc1

HCID59485091

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C)c(N2CCN(c3ccc(S(C)=O)cc3)CC2)c(C)c2c1OC(C)(C)C2

HCID59485029

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d04128d6faf042b7bf207f687138bbcd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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