Water → (-)-7-[4-(2-butoxyethoxy)phenyl]-1-[(1-methylpyrazol-5-yl)methyl]-N-[4-[[[1-propylimidazol-5-yl]methyl]sulfinyl]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

HRID 175807Notes

Reaction equation

HRID 175807 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:35]2)[CH:20]=[C:21]([C:32](=[O:33])[OH:34])[CH2:22][CH2:23][N:24]3[CH2:25][c:26]2[cH:27][cH:28][n:29][n:30]2[CH3:31])[cH:13][cH:14]1.[CH2:47]([CH2:48][CH3:49])[n:50]1[cH:51][n:52][cH:53][c:54]1[CH2:55][S:56](=[O:57])[c:58]1[cH:59][cH:60][c:61]([NH2:62])[cH:63][cH:64]1.[Cl:41][C:42]([C:43]([Cl:44])=[O:45])=[O:46].[Cl:65][CH2:66][Cl:67].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[O:68]1[CH2:69][CH2:70][CH2:71][CH2:72]1.[OH2:73].[cH:74]1[cH:75][cH:76][n:77][cH:78][cH:79]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:35]2)[CH:20]=[C:21]([C:32](=[O:33])[NH:62][c:61]2[cH:60][cH:59][c:58]([S:56]([CH2:55][c:54]4[n:50]([CH2:47][CH2:48][CH3:49])[cH:51][n:52][cH:53]4)=[O:57])[cH:64][cH:63]2)[CH2:22][CH2:23][N:24]3[CH2:25][c:26]2[cH:27][cH:28][n:29][n:30]2[CH3:31])[cH:13][cH:14]1

Participants

9

Reactant 8

HCID 962WaterHCID 1049PyridineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 65578Oxalyl chlorideHCID 229386104-[[(1-Propyl-1H-imidazol-5-yl)methyl]sulfinyl]benzenamineHCID 695221457-(4-Butoxyethoxyphenyl)-1-[(1-methylpyrazol-5-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid

Product 1

HCID 69521848(-)-7-[4-(2-butoxyethoxy)phenyl]-1-[(1-methylpyrazol-5-yl)methyl]-N-[4-[[[1-propylimidazol-5-yl]methyl]sulfinyl]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Sources & evidence

ORD record
ord-09de99a4f7344347806bb78af779e635
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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