Acetate → HCID 13588201, compound

HRID 1113899Notes

Reaction equation

HRID 1113899 reaction equation
[CH3:42][C:43](=[O:44])[O-:45].[CH3:48][CH2:49][OH:50].[CH3:51][OH:52].[Cl:1][c:2]1[c:3]([NH2:35])[c:4]([NH:8][CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][CH:14]([NH:17][c:18]3[n:19][c:20]4[c:21]([n:22]3[CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[cH:31][cH:32][cH:33][cH:34]4)[CH2:15][CH2:16]2)[n:5][cH:6][n:7]1.[H:46][H:47].[K+:41].[cH:36]1[cH:37][s:38][cH:39][cH:40]1>>[cH:2]1[c:3]([NH2:35])[c:4]([NH:8][CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][CH:14]([NH:17][c:18]3[n:19][c:20]4[c:21]([n:22]3[CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[cH:31][cH:32][cH:33][cH:34]4)[CH2:15][CH2:16]2)[n:5][cH:6][n:7]1

Participants

8

Reactant 7

HCID 175AcetateHCID 702EthanolHCID 813Potassium CationHCID 887MethanolHCID 8030ThiopheneHCID 13588146HCID 13588146, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 13588201HCID 13588201, compound

Sources & evidence

ORD record
ord-e80c1b3c357a45e994cfbc1dca6b65fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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