HRID183450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6049

Ethylenediaminetetraacetic acid

C10H16N2O8

HCID8028

Tetrahydrofuran

C4H8O

结构：O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(Cl)c(F)cc12

HCID21948186

未命名化合物

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

HCID178477795

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2c(cc1F)c(=O)cc(Nc1ccccc1)n2-c1ccccc1

HCID21948176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d22065d1ce3439090b5d27569880f1d
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

[CH2:30]([N:31]([CH2:32][C:33]([OH:34])=[O:35])[CH2:36][C:37]([OH:38])=[O:39])[CH2:40][N:41]([CH2:42][C:43]([OH:44])=[O:45])[CH2:46][C:47]([OH:48])=[O:49].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:28][Zn+:29].[Cl-:27].[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9](-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:10]2[n:11][c:12]([Cl:20])[c:13]([F:19])[cH:14][c:15]2[c:16](=[O:18])[cH:17]1.[OH2:55].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9](-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:10]2[n:11][c:12]([CH3:30])[c:13]([F:19])[cH:14][c:15]2[c:16](=[O:18])[cH:17]1