HRID203078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6811

Phthalic anhydride

C8H4O3

结构：CC(C)CC(C(=O)NN)C(CC=Cc1ccccc1)C(=O)OC(C)(C)C

HCID178445350

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)NN1C(=O)c2ccccc2C1=O)C(CC=Cc1ccccc1)C(=O)OC(C)(C)C

HCID178445295

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-175afa1e40fb4f919ed08d8087b8e44b
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

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