HRID1238302

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID335255

1-(tert-Butoxycarbonyl)-4-hydroxyproline

C10H17NO5

结构：C=CCOC1CC(C2OC(=O)NC2Cc2cc(F)cc(F)c2)N(C(c2ccccc2)c2ccccc2)C1

HCID178458213

未命名化合物

结构：C=CCOC1CNC(C2OC(=O)NC2Cc2cc(F)cc(F)c2)C1

HCID178458772

未命名化合物

PRODUCTS

生成物

结构：O=C1NC(Cc2cc(F)cc(F)c2)C(C2CC(O)CN2C(c2ccccc2)c2ccccc2)O1

HCID178517678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ea62d9cf3e348ad9d0926897d076fed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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