Benzoate → HCID 178474380, compound

HRID 196488Notes

Reaction equation

HRID 196488 reaction equation
[C:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)(=[O:48])[O-:49].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH:10]([NH:37][C:38]([CH3:39])=[O:40])[CH:11]([O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH:20]([O:21][S:22]([CH3:23])(=[O:24])=[O:25])[CH:26]([CH2:28][O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[O:27]1.[Cl:52][CH2:53][Cl:54].[Li+:50].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:51]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH:10]([NH:37][C:38]([CH3:39])=[O:40])[CH:11]([O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH:20]([O:21][C:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)=[O:48])[CH:26]([CH2:28][O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[O:27]1

Participants

7

Reactant 6

HCID 242BenzoateHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 28486Lithium ionHCID 14260500[5-Acetamido-4,6-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] methanesulfonate

Product 1

HCID 178474380HCID 178474380, compound

Sources & evidence

ORD record
ord-ad7d83c9704a418c86ab834e720eb079
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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