HRID95890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID8258

2-Methyl-3-butyn-2-ol

C5H8O

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

结构：NC1=NC2(CO1)c1cc(O)ccc1Oc1ncc(Br)cc12

HCID59272389

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：CC(C)(O)C#Cc1cnc2c(c1)C1(COC(N)=N1)c1cc(O)ccc1O2

HCID67240967

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f5c4060bbad4a37b99a316e68f118ff
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

[CH3:34][C:35]([CH3:36])([C:37]#[CH:38])[OH:39].[CH:27]([NH:28][CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[Cu:41][I:42].[NH2:1][C:2]1=[N:21][C:5]2([CH2:4][O:3]1)[c:6]1[cH:7][c:8]([OH:20])[cH:9][cH:10][c:11]1[O:12][c:13]1[n:14][cH:15][c:16]([Br:19])[cH:17][c:18]12.[O:22]=[CH:23][N:24]([CH3:25])[CH3:26].[OH2:40].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([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)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([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)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[NH2:1][C:2]1=[N:21][C:5]2([CH2:4][O:3]1)[c:6]1[cH:7][c:8]([OH:20])[cH:9][cH:10][c:11]1[O:12][c:13]1[n:14][cH:15][c:16]([C:38]#[C:37][C:35]([CH3:34])([CH3:36])[OH:39])[cH:17][c:18]12