Acetic Acid → HCID 69100503, compound

HRID 288063Notes

Reaction equation

HRID 288063 reaction equation
[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[CH3:35][C:36](=[O:37])[OH:38].[CH:27](=[O:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Cl:39][CH:40]([Cl:41])[CH3:42].[ClH:1].[ClH:2].[NH2:3][c:4]1[cH:5][c:6]([NH:10][C:11]([CH2:12][N:13]2[CH2:14][CH2:15][CH:16]([CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:17][CH2:18]2)=[O:26])[cH:7][cH:8][cH:9]1.[Na+:56].[Na+:57].[OH:58][C:59](=[O:60])[O-:61]>>[NH:3]([c:4]1[cH:5][c:6]([NH:10][C:11]([CH2:12][N:13]2[CH2:14][CH2:15][CH:16]([CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:17][CH2:18]2)=[O:26])[cH:7][cH:8][cH:9]1)[CH2:27][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 240BenzaldehydeHCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 63651,1-DichloroethaneHCID 2724942TriacetoxyborohydrideHCID 28335994HCID 28335994, compound

Product 1

HCID 69100503HCID 69100503, compound

Sources & evidence

ORD record
ord-9d430fc747bf454198a97938f46832d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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