Sodium ion → 10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl-(4-cyclohex-1-enyl-3-methyl-phenyl)-methanone

HRID 193715Notes

Reaction equation

HRID 193715 reaction equation
[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[Cl:47][CH2:48][Cl:49].[F:33][C:34]([F:35])([F:36])[S:37]([O:38][C:39]1=[CH:40][CH2:41][CH2:42][CH2:43][CH2:44]1)(=[O:45])=[O:46].[Na+:50].[Na+:51].[O-:52][C:53](=[O:54])[O-:55].[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]([CH3:32])[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][c:19]([CH3:32])[c:20]([C:39]3=[CH:40][CH2:41][CH2:42][CH2:43][CH2:44]3)[cH:21][cH:22]1)[c:8]1[c:9]([cH:11][cH:12][cH:13][cH:14]1)[CH2:10]2

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 3194401-Cyclohexenyl trifluoromethanesulfonateHCID 22219714(10,11-Dihydro-5H-pyrrolo [2,1-c][1,4] benzodiazepin-10-yl)-[3-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone

Product 1

HCID 1022151510,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl-(4-cyclohex-1-enyl-3-methyl-phenyl)-methanone

Sources & evidence

ORD record
ord-d9028a735d224caa8946b28f725b2c1f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…