Ammonia → HCID 54253496, compound

HRID 180787Notes

Reaction equation

HRID 180787 reaction equation
[CH3:38][CH2:39][OH:40].[Cl-:35].[F:1][c:2]1[c:3]([NH:8][C:9]([NH:10][c:11]2[s:12][cH:13][c:14]([C:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])=[O:22])[n:15]2)=[S:23])[cH:4][cH:5][cH:6][cH:7]1.[NH3:37].[NH4+:36].[S:24]1[C:25](=[S:26])[N:27]([CH2:31][C:32](=[O:33])[OH:34])[C:28](=[O:29])[CH2:30]1>>[F:1][c:2]1[c:3]([NH:8][C:9]([NH:10][c:11]2[s:12][cH:13][c:14]([C:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])=[C:30]3[S:24][C:25](=[S:26])[N:27]([CH2:31][C:32](=[O:33])[OH:34])[C:28]3=[O:29])[n:15]2)=[S:23])[cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 222AmmoniaHCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 797933-Thiazolidineacetic acid, 4-oxo-2-thioxo-HCID 15053509HCID 15053509, compound

Product 1

HCID 54253496HCID 54253496, compound

Sources & evidence

ORD record
ord-8dbb1ff3587342fe9010b066e61123e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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