Hydrochloric Acid → 5-(4-Bromobenzyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline

HRID 207202Notes

Reaction equation

HRID 207202 reaction equation
[Br:42][c:43]1[cH:44][cH:45][c:46]([CH2:47][C:48]([OH:49])=[O:50])[cH:51][cH:52]1.[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([CH2:21][c:22]2[cH:23][cH:24][c:25]([Br:28])[cH:26][cH:27]2)[c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]2[CH2:16][CH2:17]1)[O:18][CH2:19][O:20]3)([CH3:5])([CH3:6])[CH3:7].[CH2:66]([N:67]([CH2:68][CH3:69])[CH2:70][CH3:71])[CH3:72].[CH3:63][C:64]#[N:65].[ClH:29].[O:30]1[c:31]2[cH:32][cH:33][c:34]([CH2:35][CH2:36][NH2:37])[cH:38][c:39]2[O:40][CH2:41]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[P:53]([Cl:54])([Cl:55])([Cl:56])=[O:57]>>[N:8]1=[C:9]([CH2:21][c:22]2[cH:23][cH:24][c:25]([Br:28])[cH:26][cH:27]2)[c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]2[CH2:16][CH2:17]1)[O:18][CH2:19][O:20]3

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 8471TriethylamineHCID 24813Phosphorus oxychlorideHCID 738741,3-Benzodioxole-5-ethanamineHCID 74654Benzeneacetic acid, 4-bromo-HCID 597442655-(4-Bromobenzyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylic acid tert-butyl ester

Product 1

HCID 690706925-(4-Bromobenzyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline

Sources & evidence

ORD record
ord-42392405a0e14137a46c9dbef011e96a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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