Ammonia → HCID 23147641, compound

HRID 2127954Notes

Reaction equation

HRID 2127954 reaction equation
[BH4-:74].[C:28]([Cl:29])(=[O:30])[O:31][CH3:32].[CH2:40]([c:41]1[c:42]([O:43][C:44]([O:45][CH3:46])=[O:47])[cH:48][c:49]([O:50][C:51]([O:52][CH3:53])=[O:54])[c:55](-[c:56]2[cH:57][cH:58][cH:59][c:60](-[c:61]3[cH:62][cH:63][cH:64][cH:65][cH:66]3)[cH:67]2)[c:68]1[CH2:69][CH2:70][O:71][CH3:72])[CH3:73].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:77][OH:78].[NH3:76].[Na+:75].[O:79]1[CH2:80][CH2:81][CH2:82][CH2:83]1.[OH2:84].[OH:1][c:2]1[c:3]([C:25]([CH3:26])=[O:27])[c:4]([CH2:21][CH2:22][O:23][CH3:24])[c:5](-[c:9]2[cH:10][c:11](-[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:12][cH:13][cH:14]2)[c:6]([OH:8])[cH:7]1>>[OH:1][c:2]1[c:3]([CH2:25][CH3:26])[c:4]([CH2:21][CH2:22][O:23][CH3:24])[c:5](-[c:9]2[cH:10][c:11](-[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:12][cH:13][cH:14]2)[c:6]([OH:8])[cH:7]1

Participants

11

Reactant 10

HCID 222AmmoniaHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6586Methyl chloroformateHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 28123BorohydrideHCID 23147080HCID 23147080, compoundHCID 23147532HCID 23147532, compound

Product 1

HCID 23147641HCID 23147641, compound

Sources & evidence

ORD record
ord-883886eec4a546a981c78b0d0d35d7fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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