Hydrochloric Acid → Hydrochloric Acid

HRID 159911Notes

Reaction equation

HRID 159911 reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[CH3:1][CH2:2][O:3][C:4](=[O:5])[n:6]1[n:7][c:8]2[c:9]([c:10]1[NH:11][C:12]([c:13]1[c:14]([CH2:19][N:20]3[C:21](=[O:30])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[C:28]3=[O:29])[cH:15][cH:16][cH:17][cH:18]1)=[O:31])[CH2:32][N:33]([C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[C:34]2([CH3:35])[CH3:36].[ClH:44]>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[n:6]1[n:7][c:8]2[c:9]([c:10]1[NH:11][C:12]([c:13]1[c:14]([CH2:19][N:20]3[C:21](=[O:30])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[C:28]3=[O:29])[cH:15][cH:16][cH:17][cH:18]1)=[O:31])[CH2:32][NH:33][C:34]2([CH3:35])[CH3:36].[ClH:44]

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 670099703-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoylamino]-6,6-dimethyl-4H,6H-pyrrolo[3,4-c]pyrazole-2,5-dicarboxylic acid 5-tert-butyl ester 2-ethyl ester

Product 2

HCID 313Hydrochloric AcidHCID 67010285Ethyl 3-[[2-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate

Sources & evidence

ORD record
ord-1b6563624d37485695bc544cc13b0269
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…