Hydrochloric Acid → Hydrochloric Acid

HRID 92186Notes

Reaction equation

HRID 92186 reaction equation
[C:2]([O:3][C:4](=[O:5])[N:9]1[CH2:10][CH2:11][CH:12]([CH2:15][CH2:16][CH2:17][O:18][c:19]2[c:20]([CH3:42])[cH:21][c:22]([C:25](=[O:26])[N:27]3[c:28]4[c:29]([cH:38][cH:39][cH:40][cH:41]4)[NH:30][c:31]4[n:32]([CH3:37])[n:33][cH:34][c:35]4[CH2:36]3)[cH:23][cH:24]2)[CH2:13][CH2:14]1)([CH3:6])([CH3:7])[CH3:8].[CH3:49][OH:50].[ClH:1].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1>>[ClH:1].[NH:9]1[CH2:10][CH2:11][CH:12]([CH2:15][CH2:16][CH2:17][O:18][c:19]2[c:20]([CH3:42])[cH:21][c:22]([C:25](=[O:26])[N:27]3[c:28]4[c:29]([cH:38][cH:39][cH:40][cH:41]4)[NH:30][c:31]4[n:32]([CH3:37])[n:33][cH:34][c:35]4[CH2:36]3)[cH:23][cH:24]2)[CH2:13][CH2:14]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 312751,4-DioxaneHCID 1361284404-{3-[2-Methyl-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-phenoxy]-propyl}-piperidine-1-carboxylic Acid Tert-butyl Ester

Product 2

HCID 313Hydrochloric AcidHCID 136128437(1-Methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-piperidin-4-ylpropoxy)phenyl]methanone

Sources & evidence

ORD record
ord-4a08e039a73f4342bb32c6ae4d58a74a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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