1-(Trifluoromethylsulfonyloxy)-2,6-dimethyl-1-cyclohexene → (10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[4-(2,6-dimethyl-cyclohex-1-en-1-yl)-phenyl]-methanone

HRID 1146174Notes

Reaction equation

HRID 1146174 reaction equation
[F:32][C:33]([F:34])([F:35])[S:36]([O:37][C:38]1=[C:39]([CH3:45])[CH2:40][CH2:41][CH2:42][CH:43]1[CH3:44])(=[O:46])=[O:47].[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]([B:23]3[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]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:38]3=[C:39]([CH3:45])[CH2:40][CH2:41][CH2:42][CH:43]3[CH3:44])[cH:21][cH:22]1)[c:8]1[c:9]([cH:11][cH:12][cH:13][cH:14]1)[CH2:10]2

Participants

3

Reactant 2

HCID 125721641-(Trifluoromethylsulfonyloxy)-2,6-dimethyl-1-cyclohexeneHCID 22219709(10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone

Product 1

HCID 10222396(10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[4-(2,6-dimethyl-cyclohex-1-en-1-yl)-phenyl]-methanone

Sources & evidence

ORD record
ord-5bff933bd170466bafc427645ada233a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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