Acetic Acid → HCID 11854509, compound

HRID 2339016Notes

Reaction equation

HRID 2339016 reaction equation
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH3:36][NH:37][CH3:38].[CH3:57][C:58](=[O:59])[OH:60].[Cl:53][CH:54]([Cl:55])[CH3:56].[F:1][c:2]1[c:3](-[c:10]2[cH:11][c:12]3[c:13](=[O:35])[n:14]([CH2:28][C:29](=[O:30])[NH:31][CH:32]([CH3:33])[CH3:34])[c:15](-[c:20]4[cH:21][c:22]([O:26][CH3:27])[cH:23][cH:24][cH:25]4)[n:16][c:17]3[cH:18][cH:19]2)[cH:4][c:5]([CH:8]=[O:9])[cH:6][cH:7]1.[Na+:52]>>[F:1][c:2]1[c:3](-[c:10]2[cH:11][c:12]3[c:13](=[O:35])[n:14]([CH2:28][C:29](=[O:30])[NH:31][CH:32]([CH3:33])[CH3:34])[c:15](-[c:20]4[cH:21][c:22]([O:26][CH3:27])[cH:23][cH:24][cH:25]4)[n:16][c:17]3[cH:18][cH:19]2)[cH:4][c:5]([CH2:8][N:37]([CH3:36])[CH3:38])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 674DimethylamineHCID 923Sodium ionHCID 63651,1-DichloroethaneHCID 2724942TriacetoxyborohydrideHCID 59511774HCID 59511774, compound

Product 1

HCID 11854509HCID 11854509, compound

Sources & evidence

ORD record
ord-db6a349f97ca4410a554b993817085c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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