Hydrochloric Acid → (4-Aminomethyl-cyclohexylmethyl)-(4-benzo[b]thiophen-2-yl-pyrimidin-2-yl)-amine

HRID 2347687Notes

Reaction equation

HRID 2347687 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH:12]([CH2:15][NH:16][c:17]2[n:18][cH:19][cH:20][c:21](-[c:23]3[cH:24][c:25]4[c:26]([s:27]3)[cH:28][cH:29][cH:30][cH:31]4)[n:22]2)[CH2:13][CH2:14]1)([CH3:5])([CH3:6])[CH3:32].[CH3:34][OH:35].[Cl:36][CH2:37][Cl:38].[ClH:33]>>[NH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH:12]([CH2:15][NH:16][c:17]2[n:18][cH:19][cH:20][c:21](-[c:23]3[cH:24][c:25]4[c:26]([s:27]3)[cH:28][cH:29][cH:30][cH:31]4)[n:22]2)[CH2:13][CH2:14]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 68857526{4-[(4-Benzo[b]thiophen-2-yl-pyrimidin-2-ylamino)-methyl]-cyclohexylmethyl}-carbamic acid tert-butyl ester

Product 1

HCID 57720609(4-Aminomethyl-cyclohexylmethyl)-(4-benzo[b]thiophen-2-yl-pyrimidin-2-yl)-amine

Sources & evidence

ORD record
ord-d30482a2c29d464bb27bdf88c7df0145
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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