Hydrochloric Acid → Hydrochloric Acid

HRID 2332729Notes

Reaction equation

HRID 2332729 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([n:15][c:16](-[c:18]3[s:19][c:20]4[c:21]([n:22]3)[c:23]([O:33][CH3:34])[cH:24][cH:25][c:26]4[N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[nH:17]2)[CH2:13][CH2:14]1)([CH3:5])([CH3:6])[CH3:7].[CH3:36][OH:37].[ClH:35]>>[ClH:35].[NH:8]1[CH2:9][CH2:10][c:11]2[c:12]([n:15][c:16](-[c:18]3[s:19][c:20]4[c:21]([n:22]3)[c:23]([O:33][CH3:34])[cH:24][cH:25][c:26]4[N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[nH:17]2)[CH2:13][CH2:14]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 887MethanolHCID 112716912-(4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine-6-carboxylic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 114415914-[2-(1,4,5,6,7,8-Hexahydroimidazo[4,5-d]azepin-2-yl)-4-methoxy-1,3-benzothiazol-7-yl]morpholine

Sources & evidence

ORD record
ord-4e440f23b7124da98d579ee9bf141bb6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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