Acetic Acid → HCID 18780253, compound

HRID 2125769Notes

Reaction equation

HRID 2125769 reaction equation
[C:1]([OH:2])(=[O:3])[CH3:4].[CH3:35][C:36](=[O:37])[OH:38].[CH3:52][S:53]([CH3:54])=[O:55].[Cl:39][c:40]1[n:41][cH:42][cH:43][cH:44][n:45]1.[NH2:5][CH2:6][CH2:7][CH2:8][n:9]1[cH:10][c:11]([C:18]2=[C:22]([c:23]3[cH:24][n:25]([CH3:32])[c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]34)[C:21](=[O:33])[NH:20][C:19]2=[O:34])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12.[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[OH2:56]>>[NH:5]([CH2:6][CH2:7][CH2:8][n:9]1[cH:10][c:11]([C:18]2=[C:22]([c:23]3[cH:24][n:25]([CH3:32])[c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]34)[C:21](=[O:33])[NH:20][C:19]2=[O:34])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12)[c:40]1[n:41][cH:42][cH:43][cH:44][n:45]1

Participants

8

Reactant 7

HCID 176Acetic Acid2×HCID 679Dimethyl SulfoxideHCID 923Sodium ion2×HCID 962WaterHCID 2403Ro 31-7549HCID 19660Carbonate IonHCID 744042-Chloropyrimidine

Product 1

HCID 18780253HCID 18780253, compound

Sources & evidence

ORD record
ord-7b70e990736548ebb32bcb65c70552e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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