Acetate → HCID 66615686, compound

HRID 2135138Notes

Reaction equation

HRID 2135138 reaction equation
[C:44]([O:45][CH3:46])([CH3:47])([CH3:48])[CH3:49].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:40][C:41](=[O:42])[O-:43].[CH3:51][OH:52].[Cl:4][c:5]1[c:6]([CH3:38])[c:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH:16]3[CH2:17][CH2:18][N:19]([CH:22]([C:23](=[O:24])[O:25][CH3:26])[CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[CH2:20][CH2:21]3)[CH2:13][CH2:14]2)[cH:34][cH:35][c:36]1[Cl:37].[Li+:3].[NH4+:39].[OH-:2].[OH2:1].[OH2:50]>>[Cl:4][c:5]1[c:6]([CH3:38])[c:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH:16]3[CH2:17][CH2:18][N:19]([CH:22]([C:23](=[O:24])[OH:25])[CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[CH2:20][CH2:21]3)[CH2:13][CH2:14]2)[cH:34][cH:35][c:36]1[Cl:37]

Participants

10

Reactant 9

HCID 175AcetateHCID 223AmmoniumHCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 15413tert-Butyl methyl etherHCID 28486Lithium ionHCID 66615616HCID 66615616, compound

Product 1

HCID 66615686HCID 66615686, compound

Sources & evidence

ORD record
ord-d126df0379a84374872e92b1d88112e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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