HRID209260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6331

Borane

H3B

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：O=C(NOCCO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F

HCID9803891

3,4-Difluoro-2-((2-fluoro-4-iodophenyl)amino)-N-(2-hydroxyethoxy)benzamide

C15H12F3IN2O3

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：C=Cc1ccc(Nc2c(C(=O)NOCCO)ccc(F)c2F)c(F)c1

HCID10236993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cf8baa2c56940f8946db8199d70448f
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

[B:32].[CH2:33]([CH2:36][O:34][CH3:35])[O:37][CH3:38].[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:5](=[O:6])[NH:7][O:8][CH2:9][CH2:10][OH:11])[cH:12][cH:13][c:14]1[F:15].[K+:25].[K+:26].[O-:27][C:28]([O-:29])=[O:30].[OH2:31].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[F:1][c:2]1[c:3]([NH:16][c:17]2[c:18]([F:24])[cH:19][c:20]([CH:33]=[CH2:36])[cH:21][cH:22]2)[c:4]([C:5](=[O:6])[NH:7][O:8][CH2:9][CH2:10][OH:11])[cH:12][cH:13][c:14]1[F:15]