Formic Acid → 1,2,3,4-Tetrahydroisoquinoline

HRID 1228427Notes

Reaction equation

HRID 1228427 reaction equation
[CH2:29]1[NH:30][CH:31]=[CH:32][c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]21.[CH3:44][C:45]#[N:46].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH:57]([OH:58])=[O:59].[Cl:47][CH2:48][Cl:49].[NH2:1][CH:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[CH:9]([NH:10][S:11]([c:12]1[c:13]([CH3:14])[cH:15][c:16]([CH3:17])[cH:18][c:19]1[CH3:20])(=[O:21])=[O:22])[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[Na+:43].[O-:39][C:40]([OH:41])=[O:42]>>[CH2:29]1[NH:30][CH2:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]21

Participants

9

Reactant 8

HCID 284Formic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 8471TriethylamineHCID 4225111,2-dihydroisoquinolineHCID 17822624HCID 17822624, compound

Product 1

HCID 70461,2,3,4-Tetrahydroisoquinoline

Sources & evidence

ORD record
ord-a8a7561393a44ac187bc469063ba5793
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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