Acetic Acid → HCID 59643291, compound

HRID 196261Notes

Reaction equation

HRID 196261 reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[CH3:48][C:49](=[O:50])[OH:51].[CH:18]([CH3:19])([CH3:20])[c:21]1[n:22][c:23](-[c:26]2[cH:27][cH:28][c:29]([CH:30]=[O:31])[cH:32][cH:33]2)[n:24][o:25]1.[Cl:52][CH2:53][Cl:54].[NH2:1][CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([O:8][C:9]([C:10](=[O:11])[O:12][CH3:13])([CH3:14])[CH3:15])[cH:16][cH:17]1.[Na+:47]>>[NH:1]([CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([O:8][C:9]([C:10](=[O:11])[O:12][CH3:13])([CH3:14])[CH3:15])[cH:16][cH:17]1)[CH2:30][c:29]1[cH:28][cH:27][c:26](-[c:23]2[n:22][c:21]([CH:18]([CH3:19])[CH3:20])[o:25][n:24]2)[cH:33][cH:32]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 21320401Methyl 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoateHCID 59643227HCID 59643227, compound

Product 1

HCID 59643291HCID 59643291, compound

Sources & evidence

ORD record
ord-266d74f70ca448dd9bda62756de39afa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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