Acetic Acid → HCID 178485703, compound
Reaction equation
[BrH:63].[C:79](=[O:80])([O-:81])[OH:82].[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([CH2:6][CH:7]([CH2:8][CH:9]([CH3:10])[CH3:11])[C:12]([NH:13][CH:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:19]([NH:20][CH3:21])=[O:22])=[O:23])[CH2:24][NH:25][C:26]([CH:27]([NH:28][C:29]([CH:30]([CH2:31][CH2:32][CH2:33][CH2:34][N:35]1[C:36](=[O:45])[c:37]2[c:38]([cH:41][cH:42][cH:43][cH:44]2)[C:39]1=[O:40])[NH:46][C:47](=[O:48])[O:49][CH2:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)=[O:57])[CH2:58][CH:59]([CH3:60])[CH3:61])=[O:62].[CH3:75][C:76](=[O:77])[OH:78].[Cl:64][C:65]([O:66][CH2:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)=[O:74].[K+:83]>>[O:3]=[P:4]([OH:5])([CH2:6][CH:7]([CH2:8][CH:9]([CH3:10])[CH3:11])[C:12]([NH:13][CH:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:19]([NH:20][CH3:21])=[O:22])=[O:23])[CH2:24][NH:25][C:26]([CH:27]([NH:28][C:29]([CH:30]([CH2:31][CH2:32][CH2:33][CH2:34][N:35]1[C:36](=[O:45])[c:37]2[c:38]([cH:41][cH:42][cH:43][cH:44]2)[C:39]1=[O:40])[NH:46][C:47](=[O:48])[O:49][CH2:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)=[O:57])[CH2:58][CH:59]([CH3:60])[CH3:61])=[O:62]Participants
7
Sources & evidence
- ORD record
- ord-881ea8e3dc9a4688970c2147b922ff68
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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