HRID164716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

结构：Cc1cnc(N)n1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID67180944

未命名化合物

结构：CC1COCCN1c1nc(Cl)nc2c1CCN(C(=O)OC(C)(C)C)C2

HCID72241098

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：Cc1cnc(N)n1-c1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCN(C(=O)OC(C)(C)C)C3)cc1

HCID67179698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6cb73e73ec74523ac3751b72a27a243
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

[CH3:1][c:2]1[cH:3][n:4][c:5]([NH2:22])[n:6]1-[c:7]1[cH:8][cH:9][c:10]([B:13]2[O:14][C:15]([CH3:16])([CH3:17])[C:18]([CH3:19])([CH3:20])[O:21]2)[cH:11][cH:12]1.[CH3:24][C:25](=[O:26])[O-:27].[CH3:53][C:54]#[N:55].[Cl:28][c:29]1[n:30][c:31]([N:46]2[CH:47]([CH3:52])[CH2:48][O:49][CH2:50][CH2:51]2)[c:32]2[c:33]([n:34]1)[CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]2.[K+:23].[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>>[CH3:1][c:2]1[cH:3][n:4][c:5]([NH2:22])[n:6]1-[c:7]1[cH:8][cH:9][c:10](-[c:29]2[n:30][c:31]([N:46]3[CH:47]([CH3:52])[CH2:48][O:49][CH2:50][CH2:51]3)[c:32]3[c:33]([n:34]2)[CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]3)[cH:11][cH:12]1