HRID2159726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7672

Phenyl isocyanate

C7H5NO

结构：Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1

HCID46855043

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1

HCID44470172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3c8b07730904b03a32d40d3cd4ecac9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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