Ethanol → HCID 19387546, 화합물

HRID 302179

반응식

HRID 302179 반응식
[Br:1][c:2]1[n:3][cH:4][c:5]([Br:9])[cH:6][c:7]1[F:8].[CH2:10]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[O:18][c:19]1[cH:20][cH:21][c:22]([B:25]([OH:26])[OH:27])[cH:23][cH:24]1.[CH3:34][CH2:35][OH:36].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[OH2:121].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([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)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([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)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([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)[cH:119][cH:120]1>>[c:2]1(-[c:22]2[cH:21][cH:20][c:19]([O:18][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[cH:24][cH:23]2)[n:3][cH:4][c:5]([Br:9])[cH:6][c:7]1[F:8]

참가 물질

9

출처 및 근거

ORD 기록
ord-4fb0ac8fd2c04ce399beeee6343df391
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

불러오는 중…