Acetic Acid → HCID 75095990, compound

HRID 1128689Notes

Reaction equation

HRID 1128689 reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH2:34]1[CH2:35][O:36][CH2:37][CH2:38][NH:39]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[n:6][cH:7][cH:8][c:9]([CH:11]([CH2:12][CH:13]=[O:14])[NH:15][C:16](=[O:17])[c:18]2[c:19]3[c:20]([cH:21][n:22][cH:23]2)[n:24](-[c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[n:25][cH:26]3)[cH:10]1.[CH3:40][C:41](=[O:42])[OH:43].[Cl:58][CH:59]([Cl:60])[CH3:61].[Na+:57]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[n:6][cH:7][cH:8][c:9]([CH:11]([CH2:12][CH2:13][N:39]2[CH2:34][CH2:35][O:36][CH2:37][CH2:38]2)[NH:15][C:16](=[O:17])[c:18]2[c:19]3[c:20]([cH:21][n:22][cH:23]2)[n:24](-[c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[n:25][cH:26]3)[cH:10]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 63651,1-DichloroethaneHCID 8083MorpholineHCID 2724942TriacetoxyborohydrideHCID 72244627HCID 72244627, compound

Product 1

HCID 75095990HCID 75095990, compound

Sources & evidence

ORD record
ord-18dc357438754f159fa193204cb3551e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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