HRID136771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID69221

Glycine methyl ester

C3H7NO2

HCID2724942

未命名化合物

结构：O=CCc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1

HCID86598296

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CNCCc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1

HCID69251469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e9a04b75a644b0a996ab7e91d15615b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:47]([O:48][BH-:49]([O:50][C:51](=[O:52])[CH3:53])[O:54][C:55](=[O:56])[CH3:57])(=[O:58])[CH3:59].[CH3:41][O:42][C:43]([CH2:44][NH2:45])=[O:46].[CH3:61][C:62](=[O:63])[OH:64].[Cl:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][c:12]([CH2:16][CH:17]=[O:18])[cH:13][cH:14][cH:15]2)[CH2:19][CH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][c:36]1[C:37]([F:38])([F:39])[F:40].[Cl:65][CH2:66][CH2:67][Cl:68].[Na+:60]>>[Cl:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][c:12]([CH2:16][CH2:17][NH:45][CH2:44][C:43]([O:42][CH3:41])=[O:46])[cH:13][cH:14][cH:15]2)[CH2:19][CH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][c:36]1[C:37]([F:38])([F:39])[F:40]