Methanol → HCID 178451219, compound

HRID 1574721Notes

Reaction equation

HRID 1574721 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH:13]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[NH:19][CH:20]1[CH2:21][S:22][c:23]2[c:24]([cH:36][cH:37][cH:38][cH:39]2)[N:25]([CH2:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[C:26]1=[O:27].[CH3:40][OH:41].[Na+:43].[OH-:42].[OH2:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH:13]([C:14](=[O:15])[OH:16])[NH:19][CH:20]1[CH2:21][S:22][c:23]2[c:24]([cH:36][cH:37][cH:38][cH:39]2)[N:25]([CH2:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[C:26]1=[O:27]

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 178471442ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]hexanoate

Product 1

HCID 178451219HCID 178451219, compound

Sources & evidence

ORD record
ord-ada1c71fecc34896a4dcb28320a02f1b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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