Acetic Acid → HCID 178510296, compound

HRID 1203281Notes

Reaction equation

HRID 1203281 reaction equation
[C:43]([OH:44])(=[O:45])[CH3:46].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7]2=[N:11][C:10](=[O:12])[CH2:9][S:8]2)[cH:13][cH:14][c:15]1[F:16].[O:17]=[C:18]1[C:19](=[CH:23][c:24]2[n:25][c:26]3[cH:27][c:28]([C:34]#[N:35])[cH:29][n:30][c:31]3[cH:32][cH:33]2)[S:20][C:21]([NH:22][CH2:36][c:37]2[s:38][cH:39][cH:40][cH:41]2)=[N:42]1.[OH2:47]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7]2=[N:11][C:10](=[O:12])[C:9](=[CH:23][c:24]3[n:25][c:26]4[cH:27][c:28]([C:34]#[N:35])[cH:29][n:30][c:31]4[cH:32][cH:33]3)[S:8]2)[cH:13][cH:14][c:15]1[F:16]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 178510297HCID 178510297, compoundHCID 178516941HCID 178516941, compound

Product 1

HCID 178510296HCID 178510296, compound

Sources & evidence

ORD record
ord-90289e4d2a2d4bbea2c06e70c3ee16e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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