Hydrochloric Acid → (4-fluoro-phenyl)-[2-(4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepin-6-yl]-methanone

HRID 1572315Notes

Reaction equation

HRID 1572315 reaction equation
[CH2:29]([N:30]([CH:31]([CH3:32])[CH3:33])[CH:34]([CH3:35])[CH3:36])[CH3:37].[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:8]2[c:9]1[n:10][c:11](-[c:13]1[n:14][c:15]3[c:16]([nH:22]1)[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[s:12]2.[ClH:1].[F:38][c:39]1[cH:40][cH:41][c:42]([C:43](=[O:44])[Cl:45])[cH:46][cH:47]1.[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:8]2[c:9]1[n:10][c:11](-[c:13]1[n:14][c:15]3[c:16]([nH:22]1)[CH2:17][CH2:18][N:19]([C:43]([c:42]1[cH:41][cH:40][c:39]([F:38])[cH:47][cH:46]1)=[O:44])[CH2:20][CH2:21]3)[s:12]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 678794-Fluorobenzoyl chlorideHCID 81531DiisopropylethylamineHCID 114415914-[2-(1,4,5,6,7,8-Hexahydroimidazo[4,5-d]azepin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine

Product 1

HCID 11752529(4-fluoro-phenyl)-[2-(4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepin-6-yl]-methanone

Sources & evidence

ORD record
ord-de8a574a17ed4884a74e988f72ddb410
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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