Acetic Acid → HCID 5279141, compound

HRID 1130287Notes

Reaction equation

HRID 1130287 reaction equation
[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[C:55](=[O:56])([OH:57])[O-:58].[CH3:63][C:64](=[O:65])[OH:66].[Cl:1][c:2]1[cH:3][c:4]([C:28]([NH:7][CH:8]2[N:9]=[C:10]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:11]3[c:12]([cH:16][cH:17][cH:18][cH:19]3)[NH:13][C:14]2=[O:15])=[O:29])[cH:5][cH:6][c:26]1[Cl:27].[Cl:60][CH2:61][Cl:62].[N+:44](=[O:45])([O-:46])[c:47]1[c:48]([CH:49]=[O:50])[cH:51][cH:52][cH:53][cH:54]1.[Na+:43].[Na+:59]>>[NH:7]([CH:8]1[N:9]=[C:10]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:11]2[c:12]([cH:16][cH:17][cH:18][cH:19]2)[NH:13][C:14]1=[O:15])[CH2:49][c:48]1[c:47]([N+:44](=[O:45])[O-:46])[cH:54][cH:53][cH:52][cH:51]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 111012-NitrobenzaldehydeHCID 2724942TriacetoxyborohydrideHCID 5279119HCID 5279119, compound

Product 1

HCID 5279141HCID 5279141, compound

Sources & evidence

ORD record
ord-a95310733fc742dbb087402a28d46162
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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