Ethanol → HCID 18367562, 화합물

HRID 106734

반응식

HRID 106734 반응식
[Br:23][c:24]1[cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30][c:31]1[O:32][CH3:33].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][CH2:48][OH:49].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[OH:1][CH:2]([CH:3]([O:4][c:5]1[cH:6][cH:7][c:8]([B:11]([OH:12])[OH:13])[cH:9][cH:10]1)[CH3:14])[CH2:15][CH2:16][c:17]1[cH:18][n:19][cH:20][cH:21][cH:22]1.[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[OH:1][CH:2]([CH:3]([O:4][c:5]1[cH:6][cH:7][c:8](-[c:24]2[cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30][c:31]2[O:32][CH3:33])[cH:9][cH:10]1)[CH3:14])[CH2:15][CH2:16][c:17]1[cH:18][n:19][cH:20][cH:21][cH:22]1

참가 물질

8

출처 및 근거

ORD 기록
ord-4322a2aef3434c87b0124a8fb158a5c4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…