HRID202477

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)c1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1

HCID10993963

未命名化合物

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID57456614

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1

HCID23506078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcf5c6d06e144306921e2e39b675b608
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:37][N:38]([CH3:39])[Al:40][CH2:41][Cl:42].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[O:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14]([N:18]([CH2:19][CH:20]([C:21]([F:22])([F:23])[F:24])[OH:25])[CH2:26][c:27]2[cH:28][c:29]([C:30](=[O:31])[O:32][CH3:33])[cH:34][cH:35][cH:36]2)[cH:15][cH:16][cH:17]1>>[O:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14]([N:18]([CH2:19][CH:20]([C:21]([F:22])([F:23])[F:24])[OH:25])[CH2:26][c:27]2[cH:28][c:29]([C:30](=[O:31])[N:38]([CH3:37])[CH3:39])[cH:34][cH:35][cH:36]2)[cH:15][cH:16][cH:17]1