Bicarbonate Ion → HCID 178502156, compound
Reaction equation
[C:70](=[O:71])([OH:72])[O-:73].[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH:12]([c:17]2[nH:18][c:19](-[c:22]3[cH:23][cH:24][c:25]([Br:28])[cH:26][cH:27]3)[cH:20][n:21]2)[CH2:13][C:14](=[O:16])[CH2:15]1)=[O:29].[CH3:30][O:31][C:32]([NH:33][CH:34]([CH:35]([CH3:36])[CH3:37])[C:38](=[O:39])[N:40]1[CH:41]([c:45]2[nH:46][cH:47][c:48](-[c:50]3[cH:51][c:52]4[cH:53][cH:54][c:55]([B:60]5[O:61][C:62]([CH3:63])([CH3:64])[C:65]([CH3:66])([CH3:67])[O:68]5)[cH:56][c:57]4[cH:58][cH:59]3)[n:49]2)[CH2:42][CH2:43][CH2:44]1)=[O:69].[CH3:75][O:76][CH2:77][CH2:78][O:79][CH3:80].[Na+:74]>>[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH:12]([c:17]2[nH:18][c:19](-[c:22]3[cH:23][cH:24][c:25](-[c:55]4[cH:54][cH:53][c:52]5[cH:51][c:50](-[c:48]6[cH:47][nH:46][c:45]([CH:41]7[N:40]([C:38]([CH:34]([NH:33][C:32]([O:31][CH3:30])=[O:69])[CH:35]([CH3:36])[CH3:37])=[O:39])[CH2:44][CH2:43][CH2:42]7)[n:49]6)[cH:59][cH:58][c:57]5[cH:56]4)[cH:26][cH:27]3)[cH:20][n:21]2)[CH2:13][C:14](=[O:16])[CH2:15]1)=[O:29]Participants
6
Sources & evidence
- ORD record
- ord-d85ae2e14a7e4efc8657d3502e35c194
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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