Bicarbonate Ion → HCID 23152326, compound

HRID 665268Notes

Reaction equation

HRID 665268 reaction equation
[C:52](=[O:53])([O-:54])[OH:55].[CH3:68][OH:69].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH:1]1([c:7]2[c:8]3[c:9]([n:10]4[c:16]2-[c:15]2[c:14]([cH:20][c:19]([O:21][CH3:22])[cH:18][cH:17]2)[O:13][CH2:12][CH2:11]4)[cH:23][c:24]([C:27](=[O:28])[NH:29][C:30]([C:31](=[O:32])[OH:33])([CH3:34])[CH3:35])[cH:25][cH:26]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:57]([Cl:58])([Cl:59])[Cl:60].[NH2:40][c:41]1[cH:42][c:43]([C:44](=[O:45])[O:46][CH3:47])[cH:48][cH:49][c:50]1[NH2:51].[Na+:56].[OH2:67].[S:36]([Cl:37])([Cl:38])=[O:39].[cH:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1>>[CH:1]1([c:7]2[c:8]3[c:9]([n:10]4[c:16]2-[c:15]2[c:14]([cH:20][c:19]([O:21][CH3:22])[cH:18][cH:17]2)[O:13][CH2:12][CH2:11]4)[cH:23][c:24]([C:27](=[O:28])[NH:29][C:30]([C:31](=[O:33])[NH:40][c:41]2[cH:42][c:43]([C:44](=[O:45])[O:46][CH3:47])[cH:48][cH:49][c:50]2[NH2:51])([CH3:34])[CH3:35])[cH:25][cH:26]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 1049PyridineHCID 6212ChloroformHCID 6228DimethylformamideHCID 24386Thionyl ChlorideHCID 1355243,5-Diamino-2-methylbenzoic acidHCID 23152318HCID 23152318, compound

Product 1

HCID 23152326HCID 23152326, compound

Sources & evidence

ORD record
ord-a33bb07797414bfcb18159f95701ed3f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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