Ammonia → 5-{1-Ethoxycarbonyl-1-[2-[3-(2,6-xylyl)ureido]thiazol-4-yl]-methylene}rhodanine-3-acetic acid

HRID 149415

Reaction equation

HRID 149415 reaction equation
[CH3:39][CH2:40][OH:41].[Cl-:36].[NH3:38].[NH4+:37].[S:25]1[C:26](=[S:27])[N:28]([CH2:32][C:33](=[O:34])[OH:35])[C:29](=[O:30])[CH2:31]1.[c:1]1([NH:9][C:10]([NH:11][c:12]2[s:13][cH:14][c:15]([C:17]([C:18](=[O:19])[O:20][CH2:21][CH3:22])=[O:23])[n:16]2)=[O:24])[c:2]([CH3:8])[cH:3][cH:4][cH:5][c:6]1[CH3:7]>>[c:1]1([NH:9][C:10]([NH:11][c:12]2[s:13][cH:14][c:15]([C:17]([C:18](=[O:19])[O:20][CH2:21][CH3:22])=[C:31]3[S:25][C:26](=[S:27])[N:28]([CH2:32][C:33](=[O:34])[OH:35])[C:29]3=[O:30])[n:16]2)=[O:24])[c:2]([CH3:8])[cH:3][cH:4][cH:5][c:6]1[CH3:7]

Participants

7

Reactant 6

HCID 222AmmoniaHCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 797933-Thiazolidineacetic acid, 4-oxo-2-thioxo-HCID 15053505HCID 15053505, compound

Product 1

HCID 540360675-{1-Ethoxycarbonyl-1-[2-[3-(2,6-xylyl)ureido]thiazol-4-yl]-methylene}rhodanine-3-acetic acid

Sources & evidence

ORD record
ord-0918c6cbc0f542b7ac78966f0be409f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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