HRID292672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8355

1-Naphthalenemethanamine

C11H11N

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1ccc(C2OCC(SC(C)C(O)(Cn3cncn3)c3ccc(F)cc3F)CO2)cc1

HCID178497608

未命名化合物

PRODUCTS

生成物

结构：CC(SC1COC(c2ccc(C(=O)NCc3cccc4ccccc34)cc2)OC1)C(O)(Cn1cncn1)c1ccc(F)cc1F

HCID18766366

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9157cf7784a2414d9f0559554b2a5f03
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

[CH3:13][Al:14]([CH3:15])[CH3:16].[F:17][c:18]1[c:19]([C:25]([CH:26]([CH3:27])[S:28][CH:29]2[CH2:30][O:31][CH:32]([c:35]3[cH:36][cH:37][c:38]([C:39](=[O:40])[O:41][CH3:42])[cH:43][cH:44]3)[O:33][CH2:34]2)([CH2:45][n:46]2[n:47][cH:48][n:49][cH:50]2)[OH:51])[cH:20][cH:21][c:22]([F:24])[cH:23]1.[c:1]1([CH2:11][NH2:12])[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[c:1]1([CH2:11][NH:12][C:39]([c:38]2[cH:37][cH:36][c:35]([CH:32]3[O:31][CH2:30][CH:29]([S:28][CH:26]([C:25]([c:19]4[c:18]([F:17])[cH:23][c:22]([F:24])[cH:21][cH:20]4)([CH2:45][n:46]4[n:47][cH:48][n:49][cH:50]4)[OH:51])[CH3:27])[CH2:34][O:33]3)[cH:44][cH:43]2)=[O:40])[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12