Bicarbonate Ion → HCID 178438952, compound

HRID 206398Notes

Reaction equation

HRID 206398 reaction equation
[Br:51][CH:52]([CH2:53][CH3:54])[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[C:46](=[O:47])([OH:48])[O-:49].[CH:1]([CH3:2])([CH3:3])[CH:4]1[CH:5]([O:11][C:12](=[O:13])[CH:14]2[NH:15][CH2:16][c:17]3[cH:18][c:19]4[c:24]([cH:25][c:26]3[CH2:27]2)[N:23]([CH3:28])[C:22](=[O:29])[CH:21]([c:30]2[cH:31][cH:32][c:33]([O:36][CH2:37][c:38]3[cH:39][c:40]([Cl:45])[c:41]([Cl:44])[cH:42][cH:43]3)[cH:34][cH:35]2)[O:20]4)[CH2:6][CH:7]([CH3:10])[CH2:8][CH2:9]1.[Na+:50].[Na+:61].[Na+:62].[O-:63][C:64](=[O:65])[O-:66].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71]>>[CH:1]([CH3:2])([CH3:3])[CH:4]1[CH:5]([O:11][C:12](=[O:13])[CH:14]2[N:15]([CH:52]([CH2:53][CH3:54])[c:55]3[cH:56][cH:57][cH:58][cH:59][cH:60]3)[CH2:16][c:17]3[cH:18][c:19]4[c:24]([cH:25][c:26]3[CH2:27]2)[N:23]([CH3:28])[C:22](=[O:29])[CH:21]([c:30]2[cH:31][cH:32][c:33]([O:36][CH2:37][c:38]3[cH:39][c:40]([Cl:45])[c:41]([Cl:44])[cH:42][cH:43]3)[cH:34][cH:35]2)[O:20]4)[CH2:6][CH:7]([CH3:10])[CH2:8][CH2:9]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 562384(1-Bromopropyl)benzeneHCID 178424973HCID 178424973, compound

Product 1

HCID 178438952HCID 178438952, compound

Sources & evidence

ORD record
ord-9877ca00e5df4f11b64a18ee0dec396a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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