HRID159225

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+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2724942

未命名化合物

HCID2734903

2-Thiazolecarboxaldehyde

C4H3NOS

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(CCC(CN)c1cccc(F)c1F)C(=O)O

HCID22293248

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1CCC(c2cccc(F)c2F)CN(Cc2nccs2)C1=O

HCID178454324

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa7c2fa39fa0477b88203625b19038fc
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH2:10][CH2:11][CH:12]([CH2:13][NH2:14])[c:15]1[c:16]([F:22])[c:17]([F:21])[cH:18][cH:19][cH:20]1)[C:23](=[O:24])[OH:25])[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32].[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[C:71](=[O:72])([OH:73])[O-:74].[CH3:40][C:41](=[O:42])[OH:43].[CH:33](=[O:34])[c:35]1[s:36][cH:37][cH:38][n:39]1.[CH:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[Cl:67][CH2:68][CH2:69][Cl:70].[Cl:76][CH2:77][Cl:78].[Na+:57].[Na+:75]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[c:16]([F:22])[c:17]([F:21])[cH:18][cH:19][cH:20]2)[CH2:13][N:14]([CH2:33][c:35]2[s:36][cH:37][cH:38][n:39]2)[C:23]1=[O:25])[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32]