Carbon Dioxide → HCID 73036827, compound
Reaction equation
[C:46](=[O:47])([OH:48])[O-:49].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([NH:10][C:11]([CH:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[NH:20][C:21]([CH:22]([c:23]2[cH:24][c:25]3[c:26]([n:27]([CH3:30])[cH:28][n:29]3)[cH:31][cH:32]2)[NH:33][C:34]([O:36][C:35]([CH3:37])([CH3:38])[CH3:39])=[O:40])=[O:41])=[O:42])[s:8][cH:9]1.[CH:54]([N:55]([CH:56]([CH3:57])[CH3:58])[CH2:59][CH3:60])([CH3:61])[CH3:62].[Cl:43][CH2:44][Cl:45].[Na+:50].[O:51]=[C:52]=[O:53].[O:63]=[C:64]([Cl:65])[O:66][C:67]([Cl:68])([Cl:69])[Cl:70].[O:78]1[CH2:79][CH2:80][CH2:81][CH2:82]1.[OH:71][C:72]([C:73]([F:74])([F:75])[F:76])=[O:77]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([NH:10][C:11]([CH:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[N:20]2[C:21](=[O:41])[CH:22]([c:23]3[cH:24][c:25]4[c:26]([n:27]([CH3:30])[cH:28][n:29]4)[cH:31][cH:32]3)[NH:33][C:34]2=[O:36])=[O:42])[s:8][cH:9]1Participants
10
Sources & evidence
- ORD record
- ord-46d3b23836c9493286918929c2e4a525
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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