1,4-Dioxane → 1-Methyl-4-(5-thiophen-2-yl-pyridin-3-yl)-piperazine

HRID 318285

반응식

HRID 318285 반응식
[Br:1][c:2]1[cH:3][c:4]([N:8]2[CH2:9][CH2:10][N:11]([CH3:14])[CH2:12][CH2:13]2)[cH:5][n:6][cH:7]1.[O:110]1[CH2:111][CH2:112][O:113][CH2:114][CH2:115]1.[cH:33]1[cH:34][cH:35][c:36]([P:37]([Pd:38]([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[cH:108][cH:109]1.[s:15]1[c:16]([Sn:20]([CH2:21][CH2:22][CH2:23][CH3:24])([CH2:25][CH2:26][CH2:27][CH3:28])[CH2:29][CH2:30][CH2:31][CH3:32])[cH:17][cH:18][cH:19]1>>[c:2]1(-[c:16]2[s:15][cH:19][cH:18][cH:17]2)[cH:3][c:4]([N:8]2[CH2:9][CH2:10][N:11]([CH3:14])[CH2:12][CH2:13]2)[cH:5][n:6][cH:7]1

참가 물질

5

출처 및 근거

ORD 기록
ord-5a0a391f41dc4f03a8514ac10147bce2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

불러오는 중…