HRID2349027

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+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：C=Cc1cccc2c1CN(C(=O)OC1CNC(C(=O)OC)C1)C2

HCID66826960

未命名化合物

HCID76534440

未命名化合物

PRODUCTS

生成物

结构：C=CCC(C)(C)COC(=O)NC(C(=O)N1CC(OC(=O)N2Cc3cccc(C=C)c3C2)CC1C(=O)OC)C(C)(C)C

HCID178444148

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08737fc623dc4ffe85b8de63e47a39d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:44]([Cl:45])[CH2:46][Cl:47].[CH3:25][C:26]([CH2:27][O:28][C:29](=[O:30])[NH:31][CH:32]([C:33]([CH3:34])([CH3:35])[CH3:36])[C:37](=[O:38])[OH:39])([CH2:40][CH:41]=[CH2:42])[CH3:43].[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[CH:2](=[CH2:3])[c:4]1[c:5]2[c:9]([cH:10][cH:11][cH:12]1)[CH2:8][N:7]([C:13](=[O:14])[O:15][CH:16]1[CH2:17][NH:18][CH:19]([C:21](=[O:22])[O:23][CH3:24])[CH2:20]1)[CH2:6]2.[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[ClH:1].[Na+:82].[O-:78][C:79]([OH:80])=[O:81].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH:48][n:49]1[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[n:56][n:57]1>>[CH:2](=[CH2:3])[c:4]1[c:5]2[c:9]([cH:10][cH:11][cH:12]1)[CH2:8][N:7]([C:13](=[O:14])[O:15][CH:16]1[CH2:17][N:18]([C:37]([CH:32]([NH:31][C:29]([O:28][CH2:27][C:26]([CH3:25])([CH2:40][CH:41]=[CH2:42])[CH3:43])=[O:30])[C:33]([CH3:34])([CH3:35])[CH3:36])=[O:38])[CH:19]([C:21](=[O:22])[O:23][CH3:24])[CH2:20]1)[CH2:6]2