Acetate → HCID 178523338, compound

HRID 140741Notes

Reaction equation

HRID 140741 reaction equation
[BH4-:52].[C:54](=[O:55])([OH:56])[O-:57].[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10](=[O:11])[NH:12][CH2:13][CH2:14][CH2:15][CH:16]([NH2:17])[C:18](=[O:19])[NH:20][CH:21]1[CH:22]([C:26](=[O:27])[O:28][CH2:29][C:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:37])[CH2:23][CH2:24][CH2:25]1.[CH2:59]([Cl:60])[Cl:61].[CH3:48][C:49](=[O:50])[O-:51].[Cl:38][c:39]1[cH:40][cH:41][c:42]([CH:43]=[O:44])[cH:45][cH:46]1.[ClH:1].[Na+:47].[Na+:53].[Na+:58]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10](=[O:11])[NH:12][CH2:13][CH2:14][CH2:15][CH:16]([NH:17][CH2:43][c:42]1[cH:41][cH:40][c:39]([Cl:38])[cH:46][cH:45]1)[C:18](=[O:19])[NH:20][CH:21]1[CH:22]([C:26](=[O:27])[O:28][CH2:29][C:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:37])[CH2:23][CH2:24][CH2:25]1

Participants

9

Reactant 8

HCID 175AcetateHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 6344DichloromethaneHCID 77264-ChlorobenzaldehydeHCID 28123BorohydrideHCID 178511047HCID 178511047, compound

Product 1

HCID 178523338HCID 178523338, compound

Sources & evidence

ORD record
ord-bcfdaff90b5d489d93ef7344004f36e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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