Ethyl Acetate → HCID 178503759, compound

HRID 165141Notes

Reaction equation

HRID 165141 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:15][cH:16]1)[C:22](=[O:23])[OH:24].[CH3:25][N:26]([C:27]([CH:28]([NH2:29])[CH2:30][CH2:31][S:32][CH3:33])=[O:34])[CH2:35][CH2:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:15][cH:16]1)[C:22](=[O:23])[NH:29][CH:28]([C:27]([N:26]([CH3:25])[CH2:35][CH2:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)=[O:34])[CH2:30][CH2:31][S:32][CH3:33]

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 4293568HCID 4293568, compoundHCID 178503773HCID 178503773, compound

Product 1

HCID 178503759HCID 178503759, compound

Sources & evidence

ORD record
ord-6b9853b4fee94fd086cdee328343cda1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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