HRID1138376

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8021

Diethylamine

C4H11N

HCID11776

Triphenylphosphine

C18H15P

3 次

HCID24290

未命名化合物

HCID24350

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

CuI

HCID11073648

n-boc-propargylamine

C8H13NO2

结构：O=C(CO)NC1CC(n2cnc3c(NC(CO)Cc4ccccc4)nc(Cl)nc32)C(O)C1O

HCID90761245

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC#Cc1nc(NC(CO)Cc2ccccc2)c2ncn(C3CC(NC(=O)CO)C(O)C3O)c2n1

HCID178453370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e59b861b38c4907a0321d1a793ebd3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:34]([CH3:35])([CH3:36])([CH3:37])[O:38][C:39]([NH:40][CH2:41][C:42]#[CH:43])=[O:44].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]([CH2:9][OH:10])[NH:11][c:12]1[c:13]2[n:14][cH:15][n:16]([CH:22]3[CH:23]([OH:33])[CH:24]([OH:32])[CH:25]([NH:27][C:28]([CH2:29][OH:30])=[O:31])[CH2:26]3)[c:17]2[n:18][c:19]([Cl:21])[n:20]1.[CH2:64]([NH:65][CH2:66][CH3:67])[CH3:68].[Cu:74][I:75].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[Pd:76]([Cl:77])[Cl:78].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1.[c:98]1([P:99]([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)[cH:112][cH:113][cH:114][cH:115][cH:116]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]([CH2:9][OH:10])[NH:11][c:12]1[c:13]2[n:14][cH:15][n:16]([CH:22]3[CH:23]([OH:33])[CH:24]([OH:32])[CH:25]([NH:27][C:28]([CH2:29][OH:30])=[O:31])[CH2:26]3)[c:17]2[n:18][c:19]([C:43]#[C:42][CH2:41][NH:40][C:39]([O:38][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:44])[n:20]1