HRID1552368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：Cc1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734938

2-(Dicyclohexylphosphino)-2'-methylbiphenyl

C25H33P

结构：CC1(C)OB(c2ccc3[nH]c(=O)oc3c2)OC1(C)C

HCID57950637

未命名化合物

结构：CC(C)(C)OC(=O)NC(CCn1cc(Br)cn1)Cc1ccc(Cl)cc1

HCID67062710

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CCn1cc(-c2ccc3[nH]c(=O)oc3c2)cn1)Cc1ccc(Cl)cc1

HCID71039328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f8d46c1fd774765b5091f13ff459358
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][n:5]([CH2:7][CH2:8][CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[NH:18][C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[cH:6]1.[CH3:26][C:27]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([c:34]2[cH:35][c:36]3[c:37]([nH:38][c:39](=[O:41])[o:40]3)[cH:42][cH:43]2)[O:44]1.[CH3:77][O:78][CH2:79][CH2:80][O:81][CH3:82].[CH3:83][CH2:84][OH:85].[CH:51]1([P:52]([CH:53]2[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2-[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[CH3:71])[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]1.[Na+:45].[Na+:46].[Na+:91].[O-:47][C:48](=[O:49])[O-:50].[O-:87][C:88]([OH:89])=[O:90].[OH2:86]>>[c:2]1(-[c:34]2[cH:35][c:36]3[c:37]([nH:38][c:39](=[O:41])[o:40]3)[cH:42][cH:43]2)[cH:3][n:4][n:5]([CH2:7][CH2:8][CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[NH:18][C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[cH:6]1