Acetate → HCID 60155987, compound

HRID 1204960Notes

Reaction equation

HRID 1204960 reaction equation
[CH3:48][C:49](=[O:50])[O-:51].[CH3:52][CH2:53][OH:54].[Cl:1][c:2]1[n:3][c:4]([N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[n:5][c:6]([CH3:8])[n:7]1.[F:28][c:29]1[n:30][cH:31][c:32]([CH2:38][c:39]2[cH:40][cH:41][c:42]([S:45][CH3:46])[cH:43][cH:44]2)[cH:33][c:34]1[B:35]([OH:36])[OH:37].[K+:47].[OH2:55]>>[c:2]1(-[c:34]2[c:29]([F:28])[n:30][cH:31][c:32]([CH2:38][c:39]3[cH:40][cH:41][c:42]([S:45][CH3:46])[cH:43][cH:44]3)[cH:33]2)[n:3][c:4]([N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[n:5][c:6]([CH3:8])[n:7]1

Participants

7

Reactant 6

HCID 175AcetateHCID 702EthanolHCID 813Potassium CationHCID 962WaterHCID 595482094-chloro-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amineHCID 60155986HCID 60155986, compound

Product 1

HCID 60155987HCID 60155987, compound

Sources & evidence

ORD record
ord-9133656416b04557bcf0bc9992e29c96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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