HRID320010

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID24210

N-Cyclohexyl-N-methylcyclohexanamine

C13H25N

结构：CC(C)(C)OC(=O)N1CCC(COC(=O)c2cc(Cl)cc3c2n(COCC[Si](C)(C)C)c(=O)n3COCC[Si](C)(C)C)(c2ccc(F)cc2)CC1

HCID57546185

未命名化合物

HCID178418348

未命名化合物

PRODUCTS

生成物

结构：C=C(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2c1n(COCC[Si](C)(C)C)c(=O)n2COCC[Si](C)(C)C

HCID57545986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e440f6e111be4de98ea7e9789b9fc549
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH:54]1([N:55]([CH3:56])[CH:57]2[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]2)[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1.[Cl:3][c:4]1[cH:5][c:6]([C:30](=[O:31])[O:32][CH2:33][C:34]2([c:47]3[cH:48][cH:49][c:50]([F:53])[cH:51][cH:52]3)[CH2:35][CH2:36][N:37]([C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[CH2:38][CH2:39]2)[c:7]2[c:8]([n:9]([CH2:21][O:22][CH2:23][CH2:24][Si:25]([CH3:26])([CH3:27])[CH3:28])[c:10](=[O:20])[n:11]2[CH2:12][O:13][CH2:14][CH2:15][Si:16]([CH3:17])([CH3:18])[CH3:19])[cH:29]1.[Li:1][CH3:2]>>[Cl:3][c:4]1[cH:5][c:6]([C:30]([O:32][CH2:33][C:34]2([c:47]3[cH:48][cH:49][c:50]([F:53])[cH:51][cH:52]3)[CH2:35][CH2:36][N:37]([C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[CH2:38][CH2:39]2)=[CH2:54])[c:7]2[c:8]([n:9]([CH2:21][O:22][CH2:23][CH2:24][Si:25]([CH3:26])([CH3:27])[CH3:28])[c:10](=[O:20])[n:11]2[CH2:12][O:13][CH2:14][CH2:15][Si:16]([CH3:17])([CH3:18])[CH3:19])[cH:29]1