HRID2139421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID166653

Hydride

H-

HCID53958401

未命名化合物

结构：CCCC(OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1)OC(CO)CN(C)C

HCID178450057

未命名化合物

PRODUCTS

生成物

结构：CCCCCC=CCC=CCCCCCCCCOCC(CN(C)C)OC(CCC)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1

HCID178442919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0386c1fb4385441bbaa7f90e0194e554
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][N:2]([CH2:3][CH:4]([CH2:5][OH:6])[O:7][CH:8]([CH2:9][CH2:10][CH3:11])[O:12][CH:13]1[CH2:14][C:15]2=[CH:16][CH2:17][CH:18]3[CH:19]4[CH2:20][CH2:21][CH:22]([CH:23]([CH2:24][CH2:25][CH2:26][CH:27]([CH3:28])[CH3:29])[CH3:30])[C:31]4([CH3:39])[CH2:32][CH2:33][CH:34]3[C:35]2([CH3:38])[CH2:36][CH2:37]1)[CH3:40].[CH3:43][S:44]([O:45][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH:56]=[CH:57][CH2:58][CH:59]=[CH:60][CH2:61][CH2:62][CH2:63][CH2:64][CH3:65])(=[O:46])=[O:47].[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[H-:41].[Na+:42]>>[CH3:1][N:2]([CH2:3][CH:4]([CH2:5][O:6][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH:56]=[CH:57][CH2:58][CH:59]=[CH:60][CH2:61][CH2:62][CH2:63][CH2:64][CH3:65])[O:7][CH:8]([CH2:9][CH2:10][CH3:11])[O:12][CH:13]1[CH2:14][C:15]2=[CH:16][CH2:17][CH:18]3[CH:19]4[CH2:20][CH2:21][CH:22]([CH:23]([CH2:24][CH2:25][CH2:26][CH:27]([CH3:28])[CH3:29])[CH3:30])[C:31]4([CH3:39])[CH2:32][CH2:33][CH:34]3[C:35]2([CH3:38])[CH2:36][CH2:37]1)[CH3:40]