HRID165181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1

HCID3715

Indomethacin

C19H16ClNO4

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID842041

Cyclohexyl-thiazol-2-yl-amine

C9H14N2S

HCID2733180

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)c(CC(=O)N(c1nccs1)C1CCCCC1)c(C)n2C(=O)c1ccc(Cl)cc1

HCID58618036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ce3bbeacd974e77b7e97c2ccf52d95a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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