HRID664427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7672

Phenyl isocyanate

C7H5NO

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(CCO)cc2)C(OCc2ccc3ccccc3c2)C1

HCID53946013

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(CCOC(=O)Nc3ccccc3)cc2)C(OCc2ccc3ccccc3c2)C1

HCID54340896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22e6aef956454d9ab3c29cda2693ff5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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