HRID112223

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7813

4-Methylbenzenamine

C7H9N

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：Cc1ccc(NC(=O)c2ccc(C3OCC(SC(C)C(O)(Cn4cncn4)c4ccc(F)cc4F)CO3)cc2)cc1

HCID18766374

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d02f34b00a0b441e956128739d3721f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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