HRID946653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID22938610

4-[(1-Propyl-1H-imidazol-5-yl)methanesulfinyl]aniline

C13H17N3OS

结构：CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCCCN3CCC)cc1

HCID68649821

未命名化合物

PRODUCTS

生成物

结构：CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(S(=O)Cc4cncn4CCC)cc2)CCCCN3CCC)cc1

HCID68649776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-364163e2c5a24b0483ff9c725d8276d3
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:33]2)[CH:20]=[C:21]([C:30](=[O:31])[OH:32])[CH2:22][CH2:23][CH2:24][CH2:25][N:26]3[CH2:27][CH2:28][CH3:29])[cH:13][cH:14]1.[CH2:43]([CH2:44][CH3:45])[n:46]1[cH:47][n:48][cH:49][c:50]1[CH2:51][S:52](=[O:53])[c:54]1[cH:55][cH:56][c:57]([NH2:58])[cH:59][cH:60]1.[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[OH2:66].[S:39]([Cl:40])([Cl:41])=[O:42]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:33]2)[CH:20]=[C:21]([C:30](=[O:31])[NH:58][c:57]2[cH:56][cH:55][c:54]([S:52]([CH2:51][c:50]4[n:46]([CH2:43][CH2:44][CH3:45])[cH:47][n:48][cH:49]4)=[O:53])[cH:60][cH:59]2)[CH2:22][CH2:23][CH2:24][CH2:25][N:26]3[CH2:27][CH2:28][CH3:29])[cH:13][cH:14]1