Acetic Acid → HCID 59264605, compound

HRID 676220Notes

Reaction equation

HRID 676220 reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:1][C:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])([CH3:10])[N:11]1[CH2:12][CH2:13][C:14](=[O:17])[CH2:15][CH2:16]1.[CH3:50][C:51](=[O:52])[OH:53].[Cl:60][CH2:61][Cl:62].[F:18][C:19]([c:20]1[cH:21][cH:22][c:23](-[c:26]2[cH:27][cH:28][c:29]([CH2:32][NH2:33])[cH:30][cH:31]2)[cH:24][cH:25]1)([F:34])[F:35].[Na+:49].[Na+:54].[Na+:55].[O-:56][C:57](=[O:58])[O-:59]>>[CH3:1][C:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])([CH3:10])[N:11]1[CH2:12][CH2:13][CH:14]([NH:33][CH2:32][c:29]2[cH:28][cH:27][c:26](-[c:23]3[cH:22][cH:21][c:20]([C:19]([F:18])([F:34])[F:35])[cH:25][cH:24]3)[cH:31][cH:30]2)[CH2:15][CH2:16]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ion3×HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 2724942TriacetoxyborohydrideHCID 37291554-(4-TRIFLUOROMETHYLPHENYL)BENZYLAMINEHCID 59264611HCID 59264611, compound

Product 1

HCID 59264605HCID 59264605, compound

Sources & evidence

ORD record
ord-c91e7fa9f12e475bb8aca193fde5c163
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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