Chloride → 5-Chloro-2-(docos-13-enoylamino)benzoic acid

HRID 290363

반응식

HRID 290363 반응식
[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH2:6][CH2:7][CH2:8][N:9]1[C:10](=[O:11])[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH:23]=[CH:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32].[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH:41]=[CH:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][C:54]([OH:55])=[O:56].[Cl-:57].[NH2:58][c:59]1[c:60]([C:61](=[O:62])[OH:63])[cH:64][c:65]([Cl:68])[cH:66][cH:67]1.[cH:69]1[cH:70][cH:71][n:72][cH:73][cH:74]1>>[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH:41]=[CH:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][C:54](=[O:56])[NH:58][c:59]1[c:60]([C:61](=[O:62])[OH:63])[cH:64][c:65]([Cl:68])[cH:66][cH:67]1

참가 물질

6

출처 및 근거

ORD 기록
ord-7f8d8e3c24cc4608887bfbca8b0b7033
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

불러오는 중…