Hydrochloric Acid → HCID 11155330, compound

HRID 2328766Notes

Reaction equation

HRID 2328766 reaction equation
[CH2:29]([N:30]([CH:31]([CH3:32])[CH3:33])[CH:34]([CH3:35])[CH3:36])[CH3:37].[CH2:38]([CH3:39])[O:40][C:41](=[O:42])[Cl:43].[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:44]1[CH2:45][CH2:46][CH2:47][CH2:48]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:41]([O:40][CH2:38][CH3:39])=[O:42])[CH2:20][CH2:21]3)[s:12]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 10928Ethyl chloroformateHCID 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 11155330HCID 11155330, compound

Sources & evidence

ORD record
ord-0c2b1774503349189a0ba7950559be49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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