Sodium ion → HCID 11202793, compound

HRID 1565261Notes

Reaction equation

HRID 1565261 reaction equation
[C:40]([O:41][CH2:42][CH3:43])(=[O:44])[CH3:45].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[Cl:35][C:36](=[O:37])[O:38][CH3:39].[Cl:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][n:9]2[cH:10][c:11]([C:18]([C:19](=[O:20])[NH:21][c:22]3[cH:23][c:24]4[cH:25][cH:26][cH:27][n:28][c:29]4[cH:30][cH:31]3)=[O:32])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:33][cH:34]1.[H-:2].[Na+:1].[OH2:58]>>[Cl:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][n:9]2[cH:10][c:11]([C:18]([C:19](=[O:20])[N:21]([c:22]3[cH:23][c:24]4[cH:25][cH:26][cH:27][n:28][c:29]4[cH:30][cH:31]3)[C:36](=[O:37])[O:38][CH3:39])=[O:32])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:33][cH:34]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 962WaterHCID 6586Methyl chloroformateHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 8900HeptaneHCID 166653HydrideHCID 10203597Entasobulin

Product 1

HCID 11202793HCID 11202793, compound

Sources & evidence

ORD record
ord-0f9381e405484ea097af130e56fa9205
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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