Hydrochloric Acid → 1-(3-Benzo[1,3]dioxol-5-ylmethylpiperazin-1-yl)-7-methoxyisoquinoline

HRID 303575Notes

Reaction equation

HRID 303575 reaction equation
[ClH:47].[Na+:36].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH2:10][CH:11]1[N:12]([C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:13][CH2:14][N:15]([c:17]3[n:18][cH:19][cH:20][c:21]4[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][c:26]34)[CH2:16]1)[cH:9]2.[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[OH:37][C:38](=[O:39])[O-:40]>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH2:10][CH:11]1[NH:12][CH2:13][CH2:14][N:15]([c:17]3[n:18][cH:19][cH:20][c:21]4[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][c:26]34)[CH2:16]1)[cH:9]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 312751,4-DioxaneHCID 231558011-(2-Benzo[1,3]dioxol-5-ylmethyl-1-tert-butoxycarbonylpiperazin-4-yl)-7-methoxyisoquinoline

Product 1

HCID 231557261-(3-Benzo[1,3]dioxol-5-ylmethylpiperazin-1-yl)-7-methoxyisoquinoline

Sources & evidence

ORD record
ord-6d47948873364ada8c92301759711934
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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