Hydrochloric Acid → Hydrochloric Acid

HRID 295018Notes

Reaction equation

HRID 295018 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][C:15](=[O:16])[c:17]2[cH:18][nH:19][c:20]3[c:21]2[n:22][cH:23][n:24][c:25]3-[c:26]2[c:27]([O:35][CH2:36][CH:37]3[CH2:38][CH2:39]3)[cH:28][cH:29][c:30]3[c:34]2[O:33][CH2:32][O:31]3)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:45]([O:46][CH3:47])([CH3:48])([CH3:49])[CH3:50].[CH3:40][CH:41]([OH:42])[CH3:43].[ClH:44].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1>>[ClH:44].[NH:8]1[CH2:9][CH2:10][CH:11]([NH:14][C:15](=[O:16])[c:17]2[cH:18][nH:19][c:20]3[c:21]2[n:22][cH:23][n:24][c:25]3-[c:26]2[c:27]([O:35][CH2:36][CH:37]3[CH2:38][CH2:39]3)[cH:28][cH:29][c:30]3[c:34]2[O:33][CH2:32][O:31]3)[CH2:12][CH2:13]1

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 3776IsopropanolHCID 15413tert-Butyl methyl etherHCID 312751,4-DioxaneHCID 668660774-({1-[4-(5-Cyclopropylmethoxy-1,3-benzodioxol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-methanoyl}-amino)-piperidine-1-carboxylic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 668666474-[5-(cyclopropylmethoxy)-1,3-benzodioxol-4-yl]-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

Sources & evidence

ORD record
ord-3953315a7d57419480498d2a9f430b94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…