Acetic Acid → HCID 178510295, compound

HRID 1113900Notes

Reaction equation

HRID 1113900 reaction equation
[C:60]([OH:61])(=[O:62])[CH3:63].[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6]2=[N:10][C:9](=[O:11])[C:8](=[CH:12][c:13]3[n:14][c:15]4[c:16]([O:25][CH:26]([CH3:27])[CH3:28])[c:17]([C:23]#[N:24])[cH:18][n:19][c:20]4[cH:21][cH:22]3)[S:7]2)[cH:29][cH:30][c:31]([F:33])[cH:32]1.[O:34]=[C:35]1[C:36](=[CH:37][c:38]2[n:39][c:40]3[c:41]([cH:42][cH:43]2)[n:44][cH:45][c:46]([C:47]#[N:48])[cH:49]3)[S:50][C:51]([NH:52][CH2:53][c:54]2[s:55][cH:56][cH:57][cH:58]2)=[N:59]1.[OH2:64]>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6]2=[N:10][C:9](=[O:11])[C:8](=[CH:12][c:13]3[n:14][c:15]4[cH:16][c:17]([C:23]#[N:24])[cH:18][n:19][c:20]4[cH:21][cH:22]3)[S:7]2)[cH:29][cH:30][c:31]([F:33])[cH:32]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 178458709HCID 178458709, compoundHCID 178510297HCID 178510297, compound

Product 1

HCID 178510295HCID 178510295, compound

Sources & evidence

ORD record
ord-7c77b382ee5e44ec96b10f117ab95f3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…