Hydrochloric Acid → Hydrochloric Acid

HRID 99541Notes

Reaction equation

HRID 99541 reaction equation
[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[Cl:42][CH2:43][Cl:44].[ClH:41].[n:1]1(-[c:6]2[n:7][cH:8][cH:9][c:10]3[c:11]2[o:12][c:13](-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:14](-[c:17]2[cH:18][cH:19][c:20]([C:23]4([NH:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:24][CH2:25][CH2:26]4)[cH:21][cH:22]2)[c:15]3=[O:16])[cH:2][n:3][cH:4][cH:5]1>>[ClH:41].[n:1]1(-[c:6]2[n:7][cH:8][cH:9][c:10]3[c:11]2[o:12][c:13](-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:14](-[c:17]2[cH:18][cH:19][c:20]([C:23]4([NH2:27])[CH2:24][CH2:25][CH2:26]4)[cH:21][cH:22]2)[c:15]3=[O:16])[cH:2][n:3][cH:4][cH:5]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 86671059tert-butyl (1-(4-(8-(1H-imidazol-1-yl)-4-oxo-2-phenyl-4H-pyrano[2,3-c]pyridin-3-yl)phenyl)cyclobutyl)carbamate

Product 2

HCID 313Hydrochloric AcidHCID 670679513-[4-(1-Aminocyclobutyl)phenyl]-8-imidazol-1-yl-2-phenylpyrano[2,3-c]pyridin-4-one

Sources & evidence

ORD record
ord-f04ea8fd6309415abb293a5d8d8b8c84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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