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

HRID 150798Notes

Reaction equation

HRID 150798 reaction equation
[BH4-:36].[CH3:39][OH:40].[Cl:32][Ce:33]([Cl:34])[Cl:35].[ClH:38].[Na+:37].[cH:1]1[cH:2][cH:3][n:4]2[c:5]1[CH2:6][N:7]([C:15](=[O:16])[c:17]1[c:18]([Cl:31])[cH:19][c:20]([C:23]3=[C:24]([CH3:30])[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[c:18]([Cl:31])[cH:19][c:20]([C:23]3=[C:24]([CH3:30])[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

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 28123BorohydrideHCID 161282Cerium trichlorideHCID 10203009(10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[2-chloro-4-(2-methyl-3-oxo-cyclohex-1-en-1-yl)-phenyl]-methanone

Product 1

HCID 10181266(10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[2-chloro-4-(3-hydroxy-2-methyl-cyclohex-1-en-1-yl)-phenyl]-methanone

Sources & evidence

ORD record
ord-cee099e269714d3492309aea50e6a127
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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