HRID121261

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66589

1-Isocyanatonaphthalene

C11H7NO

结构：CC(Nc1nccc(-n2cnc3cc(-c4ccncc4)ccc32)n1)C1CCCNC1

HCID18332620

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1nccc(-n2cnc3cc(-c4ccncc4)ccc32)n1)C1CCCN(C(=O)Nc2cccc3ccccc23)C1

HCID18332625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0afd6cf75754a1f81e90e85581153df
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

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