Acetic Acid → CID 68616347
Reaction equation
[C:62]([OH:63])(=[O:64])[CH3:65].[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([C:29]#[N:30])[cH:7][n:8][c:9]2[cH:10][cH:11][c:12]([CH:15]=[C:16]3[C:17](=[O:28])[N:18]=[C:19]([NH:21][CH2:22][c:23]4[s:24][cH:25][cH:26][cH:27]4)[S:20]3)[n:13][c:14]12.[CH:31]([O:32][c:33]1[cH:34][cH:35][n:36][c:37]2[c:38]1[n:39][c:40]([CH:41]=[C:42]1[S:43][C:44]([NH:45][CH:46]3[CH2:47][CH:48]3[c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)=[N:55][C:56]1=[O:57])[cH:58][cH:59]2)([CH3:60])[CH3:61].[OH2:66]>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][cH:7][n:8][c:9]2[cH:10][cH:11][c:12]([CH:15]=[C:16]3[C:17](=[O:28])[N:18]=[C:19]([NH:21][CH2:22][c:23]4[s:24][cH:25][cH:26][cH:27]4)[S:20]3)[n:13][c:14]12Participants
5
Sources & evidence
- ORD record
- ord-85e527316e6d4b95802efb6e88b6abce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)