Acetic Acid → HCID 59323388, compound

HRID 1151048Notes

Reaction equation

HRID 1151048 reaction equation
[C:29]([O:30][BH-:31]([O:32][C:33](=[O:34])[CH3:35])[O:36][C:37](=[O:38])[CH3:39])(=[O:40])[CH3:41].[C:43](=[O:44])([O-:45])[OH:46].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([CH2:18][CH2:19][NH2:20])[CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[CH2:17]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:55][C:56](=[O:57])[OH:58].[CH:21](=[O:22])[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[Na+:42].[Na+:47]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([CH2:18][CH2:19][NH:20][CH2:21][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[CH2:17]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 240BenzaldehydeHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 1140TolueneHCID 2724942TriacetoxyborohydrideHCID 59323222HCID 59323222, compound

Product 1

HCID 59323388HCID 59323388, compound

Sources & evidence

ORD record
ord-14039186005745ea8c415ce5e7021e7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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