Hydrochloric Acid → (10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[4-(3-hydroxy-cyclohex-1-en-1-yl)-phenyl]-methanone

HRID 112102Notes

Reaction equation

HRID 112102 reaction equation
[BH4-:34].[CH3:39][OH:40].[CH3:41][CH2:42][O:43][CH2:44][CH3:45].[Cl:30][Ce:31]([Cl:32])[Cl:33].[ClH:38].[H:36][H:37].[Na+:35].[cH:1]1[cH:2][cH:3][n:4]2[c:5]1[CH2:6][N:7]([C:15](=[O:16])[c:17]1[cH:18][cH:19][c:20]([C:23]3=[CH:24][C:25](=[O:29])[CH2:26][CH2:27][CH2:28]3)[cH:21][cH:22]1)[c:8]1[c:9]([cH:11][cH:12][cH:13][cH:14]1)[CH2:10]2>>[cH:1]1[cH:2][cH:3][n:4]2[c:5]1[CH2:6][N:7]([C:15](=[O:16])[c:17]1[cH:18][cH:19][c:20]([C:23]3=[CH:24][CH:25]([OH:29])[CH2:26][CH2:27][CH2:28]3)[cH:21][cH:22]1)[c:8]1[c:9]([cH:11][cH:12][cH:13][cH:14]1)[CH2:10]2

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 3283Diethyl EtherHCID 28123BorohydrideHCID 161282Cerium trichlorideHCID 101999193-[4-(10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-10-carbonyl)-phenyl]-cyclohex-2-enoneHCID 178418361HCID 178418361, compound

Product 1

HCID 10178077(10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[4-(3-hydroxy-cyclohex-1-en-1-yl)-phenyl]-methanone

Sources & evidence

ORD record
ord-c0e02b0a633a4d779195d48e77f0963c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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