HRID1549431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID12719848

1-[4-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

C12H12F3N

结构：O=CCCn1cc(I)c(=O)n(C(=O)c2ccccc2)c1=O

HCID59337579

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccccc1)n1c(=O)c(I)cn(CCCN2CC3CC3(c3ccc(C(F)(F)F)cc3)C2)c1=O

HCID178519535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-439ee8da03e6400d94b8e23594dd31f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[n:9]1[c:10](=[O:21])[n:11]([CH2:17][CH2:18][CH:19]=[O:20])[cH:12][c:13]([I:16])[c:14]1=[O:15].[C:38]([OH:39])(=[O:40])[CH3:41].[Cl:43][CH2:44][Cl:45].[F:22][C:23]([c:24]1[cH:25][cH:26][c:27]([C:30]23[CH2:31][NH:32][CH2:33][CH:34]2[CH2:35]3)[cH:28][cH:29]1)([F:36])[F:37].[OH2:42]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[n:9]1[c:10](=[O:21])[n:11]([CH2:17][CH2:18][CH2:19][N:32]2[CH2:31][C:30]3([c:27]4[cH:26][cH:25][c:24]([C:23]([F:22])([F:36])[F:37])[cH:29][cH:28]4)[CH:34]([CH2:33]2)[CH2:35]3)[cH:12][c:13]([I:16])[c:14]1=[O:15]