HRID288920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID947

Nitrogen

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

结构：CC1(C)OB(c2ccc3c(c2)CCN3C(=O)Cc2cc(F)ccc2F)OC1(C)C

HCID66823570

未命名化合物

HCID66824026

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

PRODUCTS

生成物

结构：Nc1ncnc2c1c(-c1ccc3c(c1)CCN3C(=O)Cc1cc(F)ccc1F)cn2CCN1CCOCC1

HCID66823552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc9631cfecdc460c86c8b92b284622a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4]([CH2:12][CH2:13][N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[CH2:134]1[O:135][CH2:136][CH2:137][O:138][CH2:139]1.[F:20][c:21]1[c:22]([CH2:28][C:29](=[O:30])[N:31]2[CH2:32][CH2:33][c:34]3[cH:35][c:36]([B:40]4[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]4)[cH:37][cH:38][c:39]32)[cH:23][c:24]([F:27])[cH:25][cH:26]1.[N:54]#[N:55].[Na+:53].[O-:49][C:50]([OH:51])=[O:52].[OH2:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([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)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[c:2]1(-[c:36]2[cH:35][c:34]3[c:39]([cH:38][cH:37]2)[N:31]([C:29]([CH2:28][c:22]2[c:21]([F:20])[cH:26][cH:25][c:24]([F:27])[cH:23]2)=[O:30])[CH2:32][CH2:33]3)[cH:3][n:4]([CH2:12][CH2:13][N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12