HRID194726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7095

Biphenyl

C12H10

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

结构：O=C(NC1(C(=O)O)CC1)NC(Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1

HCID72291312

未命名化合物

HCID86613046

未命名化合物

PRODUCTS

生成物

HCID7095

Biphenyl

C12H10

结构：N#CC(C(=O)C1(NC(=O)NC(Cc2ccccc2)(c2ccc(F)cc2)c2cc(F)cc(OC(F)(F)C(F)F)c2)CC1)=[P+]([O-])c1ccccc1

HCID178511159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9280caf823bd4311988c06b6bb984f0e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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