Acetate → HCID 68618323, compound

HRID 1143986Notes

Reaction equation

HRID 1143986 reaction equation
[CH3:1][O:2][C:3](=[O:4])[C:5]12[NH:6][C:7](=[O:46])[CH:8]3[CH2:9][CH:10]([O:33][C:34](=[O:35])[N:36]4[CH2:37][c:38]5[cH:39][cH:40][cH:41][c:42]([F:45])[c:43]5[CH2:44]4)[CH2:11][N:12]3[C:13](=[O:32])[CH:14]([NH:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH:20]=[CH:21][CH:22]1[CH2:23]2.[CH3:48][C:49](=[O:50])[O-:51].[CH3:52][O:53][CH2:54][CH2:55][O:56][CH3:57].[Na+:47].[OH2:58]>>[CH3:1][O:2][C:3](=[O:4])[C:5]12[NH:6][C:7](=[O:46])[CH:8]3[CH2:9][CH:10]([O:33][C:34](=[O:35])[N:36]4[CH2:37][c:38]5[cH:39][cH:40][cH:41][c:42]([F:45])[c:43]5[CH2:44]4)[CH2:11][N:12]3[C:13](=[O:32])[CH:14]([NH:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH:22]1[CH2:23]2

Participants

6

Reactant 5

HCID 175AcetateHCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 68615924HCID 68615924, compound

Product 1

HCID 68618323HCID 68618323, compound

Sources & evidence

ORD record
ord-dc88f6072e9e45869647360b4f181564
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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