HRID87828

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6227

Bromoacetic acid

C2H3BrO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

结构：NC1CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1

HCID16221889

未命名化合物

PRODUCTS

生成物

结构：O=C(CBr)NC1CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1

HCID67051593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d0f62b83be5460e8561b8849bf2dc9d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:67][CH2:68][C:69](=[O:70])[OH:71].[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[F:1][c:2]1[c:3]([NH:16][c:17]2[c:18]([F:24])[cH:19][c:20]([I:23])[cH:21][cH:22]2)[c:4]([C:9](=[O:10])[N:11]2[CH2:12][CH:13]([NH2:15])[CH2:14]2)[cH:5][cH:6][c:7]1[F:8].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][P+:34]([N:35]2[CH2:36][CH2:37][CH2:38][CH2:39]2)([N:40]2[CH2:41][CH2:42][CH2:43][CH2:44]2)[N:45]2[CH2:46][CH2:47][CH2:48][CH2:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[F:1][c:2]1[c:3]([NH:16][c:17]2[c:18]([F:24])[cH:19][c:20]([I:23])[cH:21][cH:22]2)[c:4]([C:9](=[O:10])[N:11]2[CH2:12][CH:13]([NH:15][C:69]([CH2:68][Br:67])=[O:70])[CH2:14]2)[cH:5][cH:6][c:7]1[F:8]