Acetic Acid → HCID 178491739, compound

HRID 1542215Notes

Reaction equation

HRID 1542215 reaction equation
[C:49]([O:50][BH-:51]([O:52][C:53](=[O:54])[CH3:55])[O:56][C:57](=[O:58])[CH3:59])(=[O:60])[CH3:61].[CH3:15][C:16](=[O:17])[OH:18].[CH3:19][O:20][c:21]1[cH:22][c:23]([CH3:48])[c:24]([S:28](=[O:29])(=[O:30])[N:31]2[CH:32]([CH2:37][O:38][CH2:39][C:40](=[O:41])[N:42]3[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]3)[CH2:33][CH2:34][CH2:35][CH2:36]2)[c:25]([CH3:27])[cH:26]1.[Cl:1][c:2]1[n:3][c:4](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[nH:5][c:6]1[CH:7]=[O:8].[Cl:63][CH2:64][Cl:65].[Na+:62]>>[Cl:1][c:2]1[nH:3][c:4](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[n:5][c:6]1[CH2:7][N:45]1[CH2:44][CH2:43][N:42]([C:40]([CH2:39][O:38][CH2:37][CH:32]2[N:31]([S:28]([c:24]3[c:23]([CH3:48])[cH:22][c:21]([O:20][CH3:19])[cH:26][c:25]3[CH3:27])(=[O:29])=[O:30])[CH2:36][CH2:35][CH2:34][CH2:33]2)=[O:41])[CH2:47][CH2:46]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 59746453HCID 59746453, compoundHCID 178520008HCID 178520008, compound

Product 1

HCID 178491739HCID 178491739, compound

Sources & evidence

ORD record
ord-3985c523680e465990cda8084454a6f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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