Benzoate → HCID 178522591, compound

HRID 214861Notes

Reaction equation

HRID 214861 reaction equation
[C:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)(=[O:47])[O-:48].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[C:10]2([CH2:34][O:35][S:36]([CH3:37])(=[O:38])=[O:39])[O:11][CH:12]([n:16]3[c:17]4[n:18][cH:19][n:20][c:21]([NH:25][C:26]([c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)=[O:33])[c:22]4[n:23][cH:24]3)[CH:13]1[O:14][CH2:15]2.[Na+:49].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[C:10]2([CH2:34][O:35][C:40]([c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)=[O:47])[O:11][CH:12]([n:16]3[c:17]4[n:18][cH:19][n:20][c:21]([NH:25][C:26]([c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)=[O:33])[c:22]4[n:23][cH:24]3)[CH:13]1[O:14][CH2:15]2

Participants

5

Reactant 4

HCID 242BenzoateHCID 923Sodium ionHCID 6228DimethylformamideHCID 178505250HCID 178505250, compound

Product 1

HCID 178522591HCID 178522591, compound

Sources & evidence

ORD record
ord-a0668e42ebc8479f96eeac6453bfce4f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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