Acetic Acid → HCID 60204334, compound

HRID 1133936Notes

Reaction equation

HRID 1133936 reaction equation
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[C:58](=[O:59])([OH:60])[O-:61].[CH3:37][C:38](=[O:39])[OH:40].[CH:29]([c:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1)=[O:36].[Cl:55][CH2:56][Cl:57].[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8](-[c:10]3[n:11][c:12]([NH:16][CH2:17][CH2:18][N:19]4[C:20](=[O:27])[NH:21][C:22](=[O:26])[C:23]4([CH3:24])[CH3:25])[n:13][cH:14][cH:15]3)[s:9]2)[cH:28]1.[Na+:54].[Na+:62]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8](-[c:10]3[n:11][c:12]([NH:16][CH2:17][CH2:18][N:19]4[C:20](=[O:27])[NH:21][C:22](=[O:26])[C:23]4([CH3:24])[CH3:25])[n:13][cH:14][cH:15]3)[s:9]2)[cH:28]1)[CH2:29][c:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 133894-PyridinecarboxaldehydeHCID 2724942TriacetoxyborohydrideHCID 60204330HCID 60204330, compound

Product 1

HCID 60204334HCID 60204334, compound

Sources & evidence

ORD record
ord-39ca20d52d154a55afdf52879efc7db4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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