Hydrogen Bromide → 1,3,4,5-tetrahydro-2H-dibenzo[2,3:6,7]thiepino[4,5-d]azepin-2-one

HRID 668589Notes

Reaction equation

HRID 668589 reaction equation
[Al+3:30].[BrH:1].[CH2:7]1[C:8](=[O:28])[NH:9][C:10](=[O:27])[CH2:11][C:12]2=[C:13]1[c:14]1[c:15]([cH:23][cH:24][cH:25][cH:26]1)[S:16][c:17]1[c:18]2[cH:19][cH:20][cH:21][cH:22]1.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:47][CH2:48][O:49][CH2:50][CH3:51].[H-:29].[H-:32].[H-:33].[H-:34].[Li+:31].[O:2]=[CH:3][N:4]([CH3:5])[CH3:6].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:35]>>[CH2:7]1[CH2:8][NH:9][C:10](=[O:27])[CH2:11][C:12]2=[C:13]1[c:14]1[c:15]([cH:23][cH:24][cH:25][cH:26]1)[S:16][c:17]1[c:18]2[cH:19][cH:20][cH:21][cH:22]1

Participants

11

Reactant 10

HCID 260Hydrogen BromideHCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 13019088HCID 13019088, compound

Product 1

HCID 155984691,3,4,5-tetrahydro-2H-dibenzo[2,3:6,7]thiepino[4,5-d]azepin-2-one

Sources & evidence

ORD record
ord-132c3c943ccd4559a55aeb4f608140bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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