Hydrochloric Acid → Methyl 2-(4-cyanobenzyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylate

HRID 688964Notes

Reaction equation

HRID 688964 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[C:30](#[N:31])[c:32]1[cH:33][cH:34][c:35]([CH:36]=[O:37])[cH:38][cH:39]1.[C:40](=[O:41])([OH:42])[O-:43].[CH2:16]1[NH:17][CH2:18][CH2:19][c:20]2[cH:21][cH:22][c:23]([C:26](=[O:27])[O:28][CH3:29])[cH:24][c:25]21.[CH2:48]([O:49][CH2:50][CH3:51])[CH3:52].[Cl:45][CH2:46][Cl:47].[ClH:15].[Na+:14].[Na+:44]>>[CH2:16]1[N:17]([CH2:36][c:35]2[cH:34][cH:33][c:32]([C:30]#[N:31])[cH:39][cH:38]2)[CH2:18][CH2:19][c:20]2[cH:21][cH:22][c:23]([C:26](=[O:27])[O:28][CH3:29])[cH:24][c:25]21

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 660424-CyanobenzaldehydeHCID 2724942TriacetoxyborohydrideHCID 10656920Methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate

Product 1

HCID 66897392Methyl 2-(4-cyanobenzyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylate

Sources & evidence

ORD record
ord-168b8e29ebc94210a0078da0fb110744
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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