HRID1201727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6331

Borane

H3B

HCID6344

Dichloromethane

CH2Cl2

HCID92298

p-(Trifluoromethoxy)phenyl isocyanate

C8H4F3NO2

结构：CCNC1Cc2ccc(SC(C)(C)C(=O)OC(C)(C)C)cc2C1

HCID11631393

未命名化合物

PRODUCTS

生成物

结构：CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)C1Cc2ccc(SC(C)(C)C(=O)OC(C)(C)C)cc2C1

HCID68812777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d73005d2d3ef41dbad2ac77871bd9322
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[BH3:24].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[cH:12][c:13]2[c:17]([cH:18][cH:19]1)[CH2:16][CH:15]([NH:20][CH2:21][CH3:22])[CH2:14]2)=[O:23].[Cl:39][CH2:40][Cl:41].[F:25][C:26]([O:27][c:28]1[cH:29][cH:30][c:31]([N:34]=[C:35]=[O:36])[cH:32][cH:33]1)([F:37])[F:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[cH:12][c:13]2[c:17]([cH:18][cH:19]1)[CH2:16][CH:15]([N:20]([CH2:21][CH3:22])[C:35]([NH:34][c:31]1[cH:30][cH:29][c:28]([O:27][C:26]([F:25])([F:37])[F:38])[cH:33][cH:32]1)=[O:36])[CH2:14]2)=[O:23]