HRID2310805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID24350

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

CuI

HCID11073648

n-boc-propargylamine

C8H13NO2

结构：Fc1cccc(Cn2ncc3cc(Nc4ncnc5ccc(I)cc45)ccc32)c1

HCID66623801

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)(C)OC(=O)NCC#Cc1ccc2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c2c1

HCID66623769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-081fe33745d54a96a78338b0a41603e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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