HRID2144149

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID2736136

5-(Methanesulfonyl)-2,3-dihydro-1H-indole

C9H11NO2S

结构：CC(C)(C)OC(=O)N1CCC(n2ccc3c(Cl)ncnc32)CC1

HCID58270310

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(n2ccc3c(N4CCc5cc(S(C)(=O)=O)ccc54)ncnc32)CC1

HCID58074082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13e94d77b65d4da19dc104828a9406fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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