Sodium ion → HCID 178447207, compound

HRID 286299Notes

Reaction equation

HRID 286299 reaction equation
[BH4-:62].[CH3:1][C:2]([CH2:3][C:4](=[O:5])[NH:6][CH:7]1[C:8](=[O:34])[N:9]([CH2:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[c:26]([C:31](=[O:32])[OH:33])[cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]2)[c:10]2[c:11]([cH:14][cH:15][cH:16][cH:17]2)[CH2:12][CH2:13]1)([CH3:35])[NH:36][C:37](=[O:38])[O:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][N:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[CH3:64][O:65][CH2:66][CH2:67][O:68][CH3:69].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[Cl:54][C:55]([O:56][CH2:57][CH:58]([CH3:59])[CH3:60])=[O:61].[Na+:63].[OH2:70]>>[CH3:1][C:2]([CH2:3][C:4](=[O:5])[NH:6][CH:7]1[C:8](=[O:34])[N:9]([CH2:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[c:26]([CH2:31][OH:32])[cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]2)[c:10]2[c:11]([cH:14][cH:15][cH:16][cH:17]2)[CH2:12][CH2:13]1)([CH3:35])[NH:36][C:37](=[O:38])[O:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 962WaterHCID 79724-MethylmorpholineHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 62365Isobutyl chloroformateHCID 67751465HCID 67751465, compound

Product 1

HCID 178447207HCID 178447207, compound

Sources & evidence

ORD record
ord-2fd716937ac04d7099d148e7175b6b5c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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