HRID175940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID643500

Cyclopentyl isocyanate

C6H9NO

结构：NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(F)c(C(F)(F)F)c1

HCID24828509

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCCC1)NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(F)c(C(F)(F)F)c1

HCID16113992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1dae6d33df447608f9b3c10a6fcc870
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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