HRID300793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID76639

Benzyl isocyanate

C8H7NO

反应SMILES：Nc1cccc(CC2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

HCID18459163

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(NCc1ccccc1)Nc1cccc(CC2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

HCID9807300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5799bd21a2a342afb9dd25fce5634b48
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[CH2:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[N:39]=[C:40]=[O:41].[CH2:42]([Cl:43])[Cl:44].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[c:1]1(-[c:7]2[n:8][c:9]([C:18]3=[CH:23][CH2:22][CH2:21][CH2:20][CH:19]3[CH2:24][c:25]3[cH:26][c:27]([NH2:31])[cH:28][cH:29][cH:30]3)[o:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][c:9]([C:18]3=[CH:23][CH2:22][CH2:21][CH2:20][CH:19]3[CH2:24][c:25]3[cH:26][c:27]([NH:31][C:40]([NH:39][CH2:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)=[O:41])[cH:28][cH:29][cH:30]3)[o:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1