Acetic Acid → HCID 178503378, compound

HRID 321812Notes

Reaction equation

HRID 321812 reaction equation
[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[C:59]([OH:60])(=[O:61])[CH3:62].[CH3:1][S:2][c:3]1[n:4][cH:5][c:6]2[c:7]([n:8]1)[n:9][c:10](-[c:19]1[cH:20][cH:21][c:22]([CH:23]=[O:24])[cH:25][cH:26]1)[c:11](-[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[cH:12]2.[ClH:44].[NH:27]1[CH2:28][CH2:29][CH:30]([c:33]2[n:34][nH:35][c:36](-[c:38]3[n:39][cH:40][cH:41][cH:42][cH:43]3)[n:37]2)[CH2:31][CH2:32]1.[Na+:58].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67]>>[CH3:1][S:2][c:3]1[n:4][cH:5][c:6]2[c:7]([n:8]1)[n:9][c:10](-[c:19]1[cH:20][cH:21][c:22]([CH2:23][N:27]3[CH2:28][CH2:29][CH:30]([c:33]4[n:34][n:35][c:36](-[c:38]5[n:39][cH:40][cH:41][cH:42][cH:43]5)[nH:37]4)[CH2:31][CH2:32]3)[cH:25][cH:26]1)[c:11](-[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[cH:12]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 2724942TriacetoxyborohydrideHCID 57713942HCID 57713942, compoundHCID 178420141HCID 178420141, compound

Product 1

HCID 178503378HCID 178503378, compound

Sources & evidence

ORD record
ord-6626f352af74459f9f96e3d603f0a6d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…