Hydrochloric Acid → HCID 11648608, compound

HRID 163969Notes

Reaction equation

HRID 163969 reaction equation
[BH4-:52].[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][C:9]([N:10]([CH3:11])[CH:12]1[CH2:13][N:14]([c:17]2[cH:18][cH:19][n:20][c:21]3[cH:22][cH:23][c:24]([O:27][CH3:28])[n:25][c:26]23)[CH2:15][CH2:16]1)=[O:29])([CH3:5])([CH3:6])[CH3:30].[C:54](=[O:55])([OH:56])[O-:57].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:72][OH:73].[CH3:74][OH:75].[CH:59]([Cl:60])([Cl:61])[Cl:62].[Cl:69][CH2:70][Cl:71].[ClH:31].[Na+:53].[Na+:58].[O:39]=[C:40]1[NH:41][c:42]2[c:43]([cH:46][cH:47][c:48]([CH:50]=[O:51])[n:49]2)[O:44][CH2:45]1.[O:63]1[CH2:64][CH2:65][O:66][CH2:67][CH2:68]1>>[NH:7]([CH2:8][C:9]([N:10]([CH3:11])[CH:12]1[CH2:13][N:14]([c:17]2[cH:18][cH:19][n:20][c:21]3[cH:22][cH:23][c:24]([O:27][CH3:28])[n:25][c:26]23)[CH2:15][CH2:16]1)=[O:29])[CH2:50][c:48]1[cH:47][cH:46][c:43]2[c:42]([n:49]1)[NH:41][C:40](=[O:39])[CH2:45][O:44]2

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887Methanol2×HCID 923Sodium ion2×HCID 6212ChloroformHCID 6344DichloromethaneHCID 8471TriethylamineHCID 28123BorohydrideHCID 312751,4-DioxaneHCID 218737373-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehydeHCID 58955143HCID 58955143, compound

Product 1

HCID 11648608HCID 11648608, compound

Sources & evidence

ORD record
ord-1d7f96f33cae4e58882d3b62edda0f2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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