HRID683869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID166653

Hydride

H-

结构：COc1cc(C=C(CCCCl)C(=O)O)ccc1-n1cnc(C)c1

HCID66839644

未命名化合物

HCID77543822

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C=C2CCCN(C(c3cc(F)c(F)c(F)c3)C(C)O)C2=O)ccc1-n1cnc(C)c1

HCID178488605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3ad9f97fa3c42fda32359ab09b09b93
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:75]([Cl:76])[CH2:77][Cl:78].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[Cl:18][CH2:19][CH2:20][CH2:21][C:22]([C:23](=[O:24])[OH:25])=[CH:26][c:27]1[cH:28][c:29]([O:39][CH3:40])[c:30](-[n:33]2[cH:34][n:35][c:36]([CH3:38])[cH:37]2)[cH:31][cH:32]1.[ClH:41].[F:11][C:12]([F:13])([F:14])[C:15]([OH:16])=[O:17].[H-:61].[NH2:42][CH:43]([CH:44]([CH3:45])[OH:46])[c:47]1[cH:48][c:49]([F:55])[c:50]([F:54])[c:51]([F:53])[cH:52]1.[Na+:56].[Na+:62].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:63].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1.[OH:57][C:58](=[O:59])[O-:60]>>[CH2:19]1[CH2:20][CH2:21][C:22](=[CH:26][c:27]2[cH:28][c:29]([O:39][CH3:40])[c:30](-[n:33]3[cH:34][n:35][c:36]([CH3:38])[cH:37]3)[cH:31][cH:32]2)[C:23](=[O:25])[N:42]1[CH:43]([CH:44]([CH3:45])[OH:46])[c:47]1[cH:48][c:49]([F:55])[c:50]([F:54])[c:51]([F:53])[cH:52]1