Acetic Acid → HCID 135998427, compound

HRID 2322701Notes

Reaction equation

HRID 2322701 reaction equation
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH2:29]([CH3:30])[NH:31][CH2:32][CH3:33].[CH3:34][C:35](=[O:36])[OH:37].[Cl:52][CH2:53][Cl:54].[Na+:51].[O:1]=[c:2]1[nH:3][n:4][c:5]2[c:6]3[c:7]([cH:8][cH:9][cH:10][c:11]13)[NH:12][CH:13]([c:21]1[cH:22][cH:23][c:24]([CH:25]=[O:26])[cH:27][cH:28]1)[CH:14]2[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[O:1]=[c:2]1[nH:3][n:4][c:5]2[c:6]3[c:7]([cH:8][cH:9][cH:10][c:11]13)[NH:12][CH:13]([c:21]1[cH:22][cH:23][c:24]([CH2:25][N:31]([CH2:29][CH3:30])[CH2:32][CH3:33])[cH:27][cH:28]1)[CH:14]2[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 8021DiethylamineHCID 2724942TriacetoxyborohydrideHCID 136344752HCID 136344752, compound

Product 1

HCID 135998427HCID 135998427, compound

Sources & evidence

ORD record
ord-68fe5e46ad1343cabb0eaac815522f68
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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