Toluene → HCID 72393416, 화합물

HRID 1217837

반응식

HRID 1217837 반응식
[C:19](=[O:20])([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[N:26]1[CH:27]([C:28](=[O:29])[OH:30])[CH2:31][C:32](=[O:34])[CH2:33]1.[CH2:1]([O:2][CH:3]1[CH:4]=[CH:5][c:6]2[c:7]([cH:8][cH:9][cH:10][cH:11]2)[N:12]1[C:13]([O:14][CH2:15][CH3:16])=[O:17])[CH3:18].[CH3:49][O:50][C:51]([CH3:52])([CH3:53])[CH3:54].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[NH2:35][c:36]1[cH:37][cH:38][c:39](-[n:42]2[c:43](=[O:48])[cH:44][cH:45][cH:46][cH:47]2)[cH:40][cH:41]1>>[C:19](=[O:20])([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[N:26]1[CH:27]([C:28](=[O:30])[NH:35][c:36]2[cH:37][cH:38][c:39](-[n:42]3[c:43](=[O:48])[cH:44][cH:45][cH:46][cH:47]3)[cH:40][cH:41]2)[CH2:31][C:32](=[O:34])[CH2:33]1

참가 물질

6

출처 및 근거

ORD 기록
ord-ea9eb2d70f774dd3b5b984390f841449
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

불러오는 중…