Acetic Acid → HCID 67055482, compound
Reaction equation
[C:57]([OH:58])(=[O:59])[CH3:60].[CH2:62]([N+:63]([CH2:64][CH2:65][CH2:66][CH3:67])([CH2:68][CH2:69][CH2:70][CH3:71])[CH2:72][CH2:73][CH2:74][CH3:75])[CH2:76][CH2:77][CH3:78].[CH2:79]1[O:80][CH2:81][CH2:82][CH2:83]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([NH:10][CH2:11][CH2:12][c:13]2[c:14]([CH2:36][CH2:37][O:38][Si:39]([C:40]([CH3:41])([CH3:42])[CH3:43])([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[n:15]([CH:23]([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:16]3[cH:17][cH:18][c:19]([Cl:22])[cH:20][c:21]23)[cH:8][cH:9]1)=[O:56].[F-:61]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([NH:10][CH2:11][CH2:12][c:13]2[c:14]([CH2:36][CH2:37][OH:38])[n:15]([CH:23]([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:16]3[cH:17][cH:18][c:19]([Cl:22])[cH:20][c:21]23)[cH:8][cH:9]1)=[O:56]Participants
6
Sources & evidence
- ORD record
- ord-fce6aa2d4815426d82ad7c7c97214b4b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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