Acetic Acid → HCID 57732790, compound

HRID 300830Notes

Reaction equation

HRID 300830 reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][nH:14][c:15]3[c:16]([C:30](=[O:31])[NH2:32])[cH:17][c:18](-[c:21]4[cH:22][cH:23][c:24]([CH2:27][CH:28]=[O:29])[cH:25][cH:26]4)[cH:19][c:20]23)[CH2:10][CH2:11]1.[CH2:56]([Cl:57])[Cl:58].[CH3:33][CH2:34][NH2:35].[CH3:36][C:37](=[O:38])[OH:39].[CH3:54][OH:55].[Na+:53].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1>>[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][nH:14][c:15]3[c:16]([C:30](=[O:31])[NH2:32])[cH:17][c:18](-[c:21]4[cH:22][cH:23][c:24]([CH2:27][CH2:28][NH:35][CH2:34][CH3:33])[cH:25][cH:26]4)[cH:19][c:20]23)[CH2:10][CH2:11]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 6341EthylamineHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 86631029HCID 86631029, compound

Product 1

HCID 57732790HCID 57732790, compound

Sources & evidence

ORD record
ord-616b458572fa428c908e7997c40f1e13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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