HRID308474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID12719850

1-[3-(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(c3cccc(C(F)(F)F)c3)C2)c1=O

HCID69134852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93220d05de1c43d3af09446435961c52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:42]([OH:43])(=[O:44])[CH3:45].[Cl:38][CH2:39][CH2:40][Cl:41].[F:22][C:23]([c:24]1[cH:25][c:26]([C:30]23[CH2:31][NH:32][CH2:33][CH:34]2[CH2:35]3)[cH:27][cH:28][cH:29]1)([F:36])[F:37].[I:1][c:2]1[c:3](=[O:21])[n:4]([C:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:5](=[O:12])[n:6]([CH2:8][CH2:9][CH:10]=[O:11])[cH:7]1.[Na+:50].[O-:46][C:47]([OH:48])=[O:49]>>[I:1][c:2]1[c:3](=[O:21])[n:4]([C:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:5](=[O:12])[n:6]([CH2:8][CH2:9][CH2:10][N:32]2[CH2:31][C:30]3([c:26]4[cH:25][c:24]([C:23]([F:22])([F:36])[F:37])[cH:29][cH:28][cH:27]4)[CH:34]([CH2:33]2)[CH2:35]3)[cH:7]1