Acetic Acid → HCID 178510294, compound

HRID 1204164Notes

Reaction equation

HRID 1204164 reaction equation
[C:59]([OH:60])(=[O:61])[CH3:62].[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][cH:31][cH:32]1.[O:33]=[C:34]1[C:35](=[CH:36][c:37]2[n:38][c:39]3[c:40]([cH:41][cH:42]2)[n:43][cH:44][c:45]([C:46]#[N:47])[cH:48]3)[S:49][C:50]([NH:51][CH2:52][c:53]2[s:54][cH:55][cH:56][cH:57]2)=[N:58]1.[OH2:63]>>[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[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][cH:31][cH:32]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 178458708HCID 178458708, compoundHCID 178510297HCID 178510297, compound

Product 1

HCID 178510294HCID 178510294, compound

Sources & evidence

ORD record
ord-ac0813eae8934f10be157863cd9067ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…