Hydrochloric Acid → Hydrochloric Acid

HRID 184795Notes

Reaction equation

HRID 184795 reaction equation
[BH4-:49].[CH3:51][OH:52].[CH:28]([O:29][CH3:30])([O:31][CH3:32])[O:33][CH3:34].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[CH:44]1([CH:47]=[O:48])[CH2:45][CH2:46]1.[ClH:1].[NH2:2][CH:3]1[CH2:4][N:5]([c:9]2[c:10]3[c:11]([n:12][cH:13][c:14]2[Br:15])[nH:16][cH:17][c:18]3[NH:19][C:20]([c:21]2[cH:22][n:23][cH:24][cH:25][cH:26]2)=[O:27])[CH2:6][CH2:7][CH2:8]1.[Na+:50].[OH2:53]>>[ClH:1].[NH:2]([CH:3]1[CH2:4][N:5]([c:9]2[c:10]3[c:11]([n:12][cH:13][c:14]2[Br:15])[nH:16][cH:17][c:18]3[NH:19][C:20]([c:21]2[cH:22][n:23][cH:24][cH:25][cH:26]2)=[O:27])[CH2:6][CH2:7][CH2:8]1)[CH2:47][CH:44]1[CH2:45][CH2:46]1

Participants

11

Reactant 9

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 9005Trimethyl orthoformateHCID 28123BorohydrideHCID 81531DiisopropylethylamineHCID 123114CyclopropanecarboxaldehydeHCID 44468331HCID 44468331, compound

Product 2

HCID 313Hydrochloric AcidHCID 60205425HCID 60205425, compound

Sources & evidence

ORD record
ord-ea289469f2334a4f8c8338e8f867cd98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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