HRID105032

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID62412

tert-Butyl isocyanate

C5H9NO

结构：NCCN1CCC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

HCID57993201

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

HCID57993133

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17529dc99caf492bbd87d1e5544428e0
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

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