HRID172619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID519494

Methyl 2-isocyanatobenzoate

C9H7NO3

HCID178463744

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccccc1NC(=O)N1CCC(c2ccccc2)C(CNC(C)c2cccc3ccccc23)C1

HCID178497649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e832b34b8e694e459ba4405004819e1e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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