Acetic Acid → HCID 59599143, compound

HRID 139224Notes

Reaction equation

HRID 139224 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][C:14]([NH:17][C:18](=[O:19])[CH2:20][Cl:21])([c:22]2[cH:23][c:24]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:25][cH:26][cH:27]2)[CH2:15][CH2:16]1.[CH3:36][CH2:37][OH:38].[CH3:39][C:40](=[O:41])[OH:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[NH2:32][C:33](=[S:34])[NH2:35]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][C:14]([NH2:17])([c:22]2[cH:23][c:24]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:25][cH:26][cH:27]2)[CH2:15][CH2:16]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 8857Ethyl AcetateHCID 2723790ThioureaHCID 59598990HCID 59598990, compound

Product 1

HCID 59599143HCID 59599143, compound

Sources & evidence

ORD record
ord-fd22a9a17104427b9230dd406e7645c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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