HRID2161709

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8071

未命名化合物

HCID2757964

3-Cyano-4-fluorophenylboronic acid

C7H5BFNO2

HCID42609365

3-Cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine

C10H11IN4

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：N#Cc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1F

HCID66915665

5-(8-Amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-fluorobenzonitrile

C17H14FN5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-220a1980de4c4e4fa361cef40cab9fec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:16](#[N:17])[c:18]1[cH:19][c:20]([B:25]([OH:26])[OH:27])[cH:21][cH:22][c:23]1[F:24].[CH3:105][O:106][CH2:107][CH2:108][O:109][CH3:110].[CH:1]1([c:5]2[n:6][c:7]([I:15])[c:8]3[n:9]2[cH:10][cH:11][n:12][c:13]3[NH2:14])[CH2:2][CH2:3][CH2:4]1.[OH2:111].[cH:28]1[cH:29][cH:30][c:31]([P:32]([Pd:33]([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([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)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[cH:103][cH:104]1>>[CH:1]1([c:5]2[n:6][c:7](-[c:20]3[cH:19][c:18]([C:16]#[N:17])[c:23]([F:24])[cH:22][cH:21]3)[c:8]3[n:9]2[cH:10][cH:11][n:12][c:13]3[NH2:14])[CH2:2][CH2:3][CH2:4]1