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

HRID 2153928Notes

Reaction equation

HRID 2153928 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].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[c:38]1([CH3:47])[c:39]([C:44](=[O:45])[Cl:46])[cH:40][cH:41][cH:42][cH:43]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:44]([c:39]1[c:38]([CH3:47])[cH:43][cH:42][cH:41][cH:40]1)=[O:45])[CH2:20][CH2:21]3)[s:12]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 702762-Methylbenzoyl 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 11785386[2-(4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepin-6-yl]-o-tolyl-methanone

Sources & evidence

ORD record
ord-465b311ac384436993f1ddfd031f80c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…