HRID1119077

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6775

2,3-Dichloro-5,6-dicyano-p-benzoquinone

C8Cl2N2O2

HCID12343

1,4-Cyclohexadiene

C6H8

结构：CC(C)(C)OC(=O)N1CC(OCc2ccccc2)CC1C(=O)O

HCID4179828

1-(1,1-Dimethylethyl) 4-(phenylmethoxy)-1,2-pyrrolidinedicarboxylate

C17H23NO5

结构：CC(C)(C)OC(=O)N1CC(OCc2ccccc2)CC1C(NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccc(S(=O)(=O)CC2CC2)cc1

HCID178452434

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(O)CC1C(NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccc(S(=O)(=O)CC2CC2)cc1

HCID178452422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6725c118193a43c79d4996ea5a489e89
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH2:10][CH:11]([CH:21]([c:22]2[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH2:31][CH:32]3[CH2:33][CH2:34]3)[cH:26][cH:27]2)[NH:35][C:36]([c:37]2[c:38]([Cl:47])[c:39]([C:43]([F:44])([F:45])[F:46])[cH:40][cH:41][cH:42]2)=[O:48])[N:12]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:13]1.[CH2:49]([O:50][CH:51]1[CH2:52][N:53]([C:54]([O:55][C:56]([CH3:57])([CH3:58])[CH3:59])=[O:60])[CH:61]([C:62]([OH:63])=[O:64])[CH2:65]1)[c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[CH:86]1=[CH:91][CH2:90][CH:89]=[CH:88][CH2:87]1.[Cl:72][C:73]1=[C:84]([Cl:85])[C:82](=[O:83])[C:79]([C:80]#[N:81])=[C:76]([C:77]#[N:78])[C:74]1=[O:75].[OH2:92]>>[OH:8][CH:9]1[CH2:10][CH:11]([CH:21]([c:22]2[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH2:31][CH:32]3[CH2:33][CH2:34]3)[cH:26][cH:27]2)[NH:35][C:36]([c:37]2[c:38]([Cl:47])[c:39]([C:43]([F:44])([F:45])[F:46])[cH:40][cH:41][cH:42]2)=[O:48])[N:12]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:13]1