Acetic Acid → HCID 18348455, compound
Reaction equation
[C:51]([O:52][BH-:53]([O:54][C:55](=[O:56])[CH3:57])[O:58][C:59](=[O:60])[CH3:61])(=[O:62])[CH3:63].[CH3:47][C:48](=[O:49])[OH:50].[CH:37]([CH3:38])([CH3:39])[N:40]1[CH2:41][CH2:42][C:43](=[O:46])[CH2:44][CH2:45]1.[NH2:1][CH2:2][c:3]1[n:4][c:5]([NH:22][CH2:23][CH:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:6]2[n:7][cH:8][n:9]([CH:12]3[O:13][CH:14]([CH2:19][O:20][CH3:21])[CH:15]([OH:18])[CH:16]3[OH:17])[c:10]2[n:11]1.[Na+:64].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1>>[NH:1]([CH2:2][c:3]1[n:4][c:5]([NH:22][CH2:23][CH:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:6]2[n:7][cH:8][n:9]([CH:12]3[O:13][CH:14]([CH2:19][O:20][CH3:21])[CH:15]([OH:18])[CH:16]3[OH:17])[c:10]2[n:11]1)[CH:43]1[CH2:42][CH2:41][N:40]([CH:37]([CH3:38])[CH3:39])[CH2:45][CH2:44]1Participants
7
Sources & evidence
- ORD record
- ord-031f3a60957b4c9583b0e84666b34960
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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