Acetic Acid → HCID 57732655, compound

HRID 668790Notes

Reaction equation

HRID 668790 reaction equation
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[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.[CH2:55]([Cl:56])[Cl:57].[CH3:33][NH2:34].[CH3:35][C:36](=[O:37])[OH:38].[CH3:53][OH:54].[Na+:52].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]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: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 6329MethylamineHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 86631029HCID 86631029, compound

Product 1

HCID 57732655HCID 57732655, compound

Sources & evidence

ORD record
ord-b2c9ead441924a40bdb79f484bcb3cb0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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