HRID168048

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7672

Phenyl isocyanate

C7H5NO

HCID7723

4-Chlorobenzyl chloride

C7H6Cl2

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCNCC1

HCID18426164

未命名化合物

PRODUCTS

生成物

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cl)cc2)CC1

HCID508750

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7288be4a02cc4d398b924545ce86160d
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

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