Hydrochloric Acid → HCID 67253415, compound

HRID 169267Notes

Reaction equation

HRID 169267 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:15]2[cH:16][c:17]3[c:22]([cH:23][cH:24]2)[CH2:21][N:20]([C:25](=[O:26])[O:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:19][CH2:18]3)[c:8]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:9]1.[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:44][CH2:45][OH:46].[ClH:38].[Li+:36].[OH-:35].[OH2:37].[OH2:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:15]2[cH:16][c:17]3[c:22]([cH:23][cH:24]2)[CH2:21][N:20]([C:25](=[O:26])[O:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:19][CH2:18]3)[c:8]([C:10](=[O:11])[OH:12])[cH:9]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 67253043Phenylmethyl 6-[3-(1,1-dimethylethyl)-5-(ethoxycarbonyl)-1H-pyrazol-1-yl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate

Product 1

HCID 67253415HCID 67253415, compound

Sources & evidence

ORD record
ord-e6ff0c051d2d4bfaaa6c00bb4f18dd40
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…