Hydrochloric Acid → HCID 178442022, compound

HRID 297357Notes

Reaction equation

[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:13][c:14]1[c:15]2[n:16][cH:17][n:18]([CH:23]3[CH2:24][CH:25]([CH2:33][F:34])[CH:26]4[O:27][C:28]([CH3:31])([CH3:32])[O:29][CH:30]34)[c:19]2[n:20][cH:21][n:22]1.[Cl:2][c:3]1[c:4]([CH2:8][CH:9]([CH2:10][CH3:11])[NH2:12])[s:5][cH:6][cH:7]1.[ClH:1]>>[Cl:2][c:3]1[c:4]([CH2:8][CH:9]([CH2:10][CH3:11])[NH:12][c:14]2[c:15]3[n:16][cH:17][n:18]([CH:23]4[CH2:24][CH:25]([CH2:33][F:34])[CH:26]5[O:27][C:28]([CH3:31])([CH3:32])[O:29][CH:30]45)[c:19]3[n:20][cH:21][n:22]2)[s:5][cH:6][cH:7]1

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 81531Diisopropylethylamine

HCID 149997103-Chloro-2-(2-aminobutyl)thiophene

HCID 1784312246-chloro-9-[6-(fluoromethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]purine

Product 1

HCID 178442022HCID 178442022, compound

Sources & evidence

ORD record: ord-5c6a9b9a97004cbda9b707429ec5b360
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…