Hydrochloric Acid → N-{4-[8-(chloromethyl)-5,6-dimethyl-7H-imidazo[4,5-c]tetraazolo[1,5-a]pyridin-7-yl]butyl}-N'-cyclohexylurea

HRID 2324863Notes

Reaction equation

HRID 2324863 reaction equation
[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[Cl:11][CH2:12][c:13]1[n:14]([CH2:27][CH2:28][CH2:29][CH2:30][NH2:31])[c:15]2[c:16]([c:17]3[n:18]([c:19]([CH3:22])[c:20]2[CH3:21])[n:23][n:24][n:25]3)[n:26]1.[Cl:32][CH2:33][Cl:34].[ClH:10].[O:1]=[C:2]=[N:3][CH:4]1[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]1>>[O:1]=[C:2]([NH:3][CH:4]1[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]1)[NH:31][CH2:30][CH2:29][CH2:28][CH2:27][n:14]1[c:13]([CH2:12][Cl:11])[n:26][c:16]2[c:15]1[c:20]([CH3:21])[c:19]([CH3:22])[n:18]1[c:17]2[n:25][n:24][n:23]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 18502Cyclohexyl isocyanateHCID 670523464-[11-(Chloromethyl)-7,8-dimethyl-3,4,5,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]butan-1-amine

Product 1

HCID 67052393N-{4-[8-(chloromethyl)-5,6-dimethyl-7H-imidazo[4,5-c]tetraazolo[1,5-a]pyridin-7-yl]butyl}-N'-cyclohexylurea

Sources & evidence

ORD record
ord-6988e75acda544408bf23a59a02182e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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