Acetic Acid → HCID 178510291, compound

HRID 315460Notes

Reaction equation

HRID 315460 reaction equation
[C:60]([OH:61])(=[O:62])[CH3:63].[CH:1]([O:2][c:5]1[c:6]([C:32]#[N:33])[cH:7][n:8][c:9]2[cH:10][cH:11][c:12]([CH:15]=[C:16]3[C:17](=[O:31])[N:18]=[C:19]([NH:21][CH:22]4[CH:23]([c:25]5[cH:26][cH:27][cH:28][cH:29][cH:30]5)[CH2:24]4)[S:20]3)[n:13][c:14]12)([CH3:3])[CH3:4].[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]>>[cH:5]1[c:6]([C:32]#[N:33])[cH:7][n:8][c:9]2[cH:10][cH:11][c:12]([CH:15]=[C:16]3[C:17](=[O:31])[N:18]=[C:19]([NH:21][CH:22]4[CH:23]([c:25]5[cH:26][cH:27][cH:28][cH:29][cH:30]5)[CH2:24]4)[S:20]3)[n:13][c:14]12

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 178458707HCID 178458707, compoundHCID 178510297HCID 178510297, compound

Product 1

HCID 178510291HCID 178510291, compound

Sources & evidence

ORD record
ord-e12fb3a5fcfa4c2bbd059edef06ed5f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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