HRID693329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID11344959

5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

C13H13FN2

HCID19888450

未命名化合物

PRODUCTS

生成物

结构：O=S1(=O)N(CCCN2CC=C(c3c[nH]c4ccc(F)cc34)CC2)c2cccc3c2N1CCC3

HCID19888464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24d5797422f9477faec8a449b6131059
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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