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

HRID 1152788Notes

Reaction equation

HRID 1152788 reaction equation
[BH3:37].[O:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1.[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH2:43].[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][c:19]([CH3:31])[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[cH:18][c:19]([CH3:31])[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

5

Reactant 4

HCID 962WaterHCID 6331BoraneHCID 8028Tetrahydrofuran2×HCID 102950443-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-2-methyl-phenyl]-2-methyl-cyclohex-2-enone

Product 1

HCID 10273123Racemic (10,11-Dihydro-5H-pyrrolo[2,1-c](1,4]benzodiazepin-10-yl)-[4-(3-hydroxy-2-methyl-cyclohex-1-en-1-yl)-3-methyl-phenyl]-methanone

Sources & evidence

ORD record
ord-c9f3aa684e0f4a99bc37ce03ba029923
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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