Acetic Acid → HCID 178440719, compound
Reaction equation
[C:23]([CH3:24])([CH3:25])([CH3:26])[c:27]1[c:28]2[c:33]([cH:34][cH:35][cH:36]1)[CH:32]([O:37][SiH:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[C:31](=[O:51])[CH2:30][CH2:29]2.[C:52]([BH3-:53])#[N:54].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:62][OH:63].[CH3:64][C:65](=[O:66])[OH:67].[Na+:55].[OH2:68].[c:1]1(-[c:7]2[n:8][c:9]([CH:18]3[NH:19][CH2:20][CH2:21][CH2:22]3)[o:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][c:9]([CH:18]3[N:19]([CH:31]4[CH2:30][CH2:29][c:28]5[c:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:36][cH:35][cH:34][c:33]5[CH:32]4[O:37][SiH:38]([c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[CH2:20][CH2:21][CH2:22]3)[o:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
9
Sources & evidence
- ORD record
- ord-34ed2d9ceb70470db1e9da0844f79b26
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…