Hydrochloric Acid → (2-chloromethyl-pyridin-4-yl)-[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 214300Notes

Reaction equation

HRID 214300 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.[Cl:39][CH2:40][c:41]1[cH:42][c:43]([C:44](=[O:45])[Cl:46])[cH:47][cH:48][n:49]1.[ClH:1].[ClH:38].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]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:43]1[cH:42][c:41]([CH2:40][Cl:39])[n:49][cH:48][cH:47]1)=[O:45])[CH2:20][CH2:21]3)[s:12]2

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 114415914-[2-(1,4,5,6,7,8-Hexahydroimidazo[4,5-d]azepin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholineHCID 219192322-(Chloromethyl)pyridine-4-carbonyl chloride

Product 1

HCID 21919252(2-chloromethyl-pyridin-4-yl)-[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-b9cba25c8d9a4ce8bc972ca42526df41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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