Ethyl Acetate → Yze9gcm2BB

HRID 282637

반응식

HRID 282637 반응식
[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:47][N:48]1[CH2:49][CH2:50][CH2:51][CH2:52][C:53]1=[O:54].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[n:3][n:4][c:5]([NH:14][CH2:15][c:16]2[cH:17][c:18]([Cl:24])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[c:6]2[cH:7][c:8]([C:12]#[N:13])[cH:9][cH:10][c:11]12.[OH:25][CH:26]1[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1>>[c:2]1([N:29]2[CH2:28][CH2:27][CH:26]([OH:25])[CH2:31][CH2:30]2)[n:3][n:4][c:5]([NH:14][CH2:15][c:16]2[cH:17][c:18]([Cl:24])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[c:6]2[cH:7][c:8]([C:12]#[N:13])[cH:9][cH:10][c:11]12

참가 물질

6

출처 및 근거

ORD 기록
ord-c702d319108e49d5ab8a4910727ab4be
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

불러오는 중…