HRID1238352

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID8857

Ethyl acetate

C4H8O2

HCID123114

Cyclopropanecarboxaldehyde

C4H6O

结构：O=C(Cc1cc(F)cc(F)c1)NCC1(c2ccc(I)cc2)CCNCC1

HCID22490376

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1cc(F)cc(F)c1)NCC1(c2ccc(I)cc2)CCN(CC2CC2)CC1

HCID68533825

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5b718652c0240768893fb64e35b1310
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

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