Hydrochloric Acid → ethyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexane-1-carboxylate

HRID 2132060Notes

Reaction equation

HRID 2132060 reaction equation
[C:1]([O:2][C:6](=[O:7])[NH:8][CH:9]1[CH:10]([NH:20][C:21](=[O:22])[c:23]2[nH:24][c:25]3[cH:26][cH:27][c:28]([Cl:32])[cH:29][c:30]3[cH:31]2)[CH2:11][CH2:12][CH:13]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:14]1)([CH3:3])([CH3:4])[CH3:5].[CH3:34][N:35]1[CH2:36][c:37]2[c:38]([n:41][c:42]([C:44]([O-:45])=[O:46])[s:43]2)[CH2:39][CH2:40]1.[CH3:48][CH2:49][OH:50].[ClH:33].[Li+:47]>>[C:6](=[O:7])([NH:8][CH:9]1[CH:10]([NH:20][C:21](=[O:22])[c:23]2[nH:24][c:25]3[cH:26][cH:27][c:28]([Cl:32])[cH:29][c:30]3[cH:31]2)[CH2:11][CH2:12][CH:13]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:14]1)[c:42]1[n:41][c:38]2[c:37]([s:43]1)[CH2:36][N:35]([CH3:34])[CH2:40][CH2:39]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 28486Lithium ionHCID 392400045-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylateHCID 68590514ethyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate

Product 1

HCID 68907769ethyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexane-1-carboxylate

Sources & evidence

ORD record
ord-a2d2ab82d32541dba159533ef55be0d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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