Hydrochloric Acid → Tert-butyl 7-(dicyclopropylcarbamoyl)-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-4-yl(2,4-dimethoxybenzyl)carbamate

HRID 1128576Notes

Reaction equation

HRID 1128576 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[c:10]2[c:11]([c:12]3[c:13]([n:14]1)[n:15]([CH2:21][CH3:22])[c:16]([C:18](=[O:19])[OH:20])[cH:17]3)[n:23]([CH3:26])[cH:24][n:25]2)[CH2:27][c:28]1[c:29]([O:36][CH3:37])[cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]1.[CH3:46][N:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[CH3:77][C:78]#[N:79].[CH3:80][N:81]([c:82]1[cH:83][cH:84][n:85][cH:86][cH:87]1)[CH3:88].[CH:39]1([NH:42][CH:43]2[CH2:44][CH2:45]2)[CH2:40][CH2:41]1.[ClH:38].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[n:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[c:10]2[c:11]([c:12]3[c:13]([n:14]1)[n:15]([CH2:21][CH3:22])[c:16]([C:18](=[O:20])[N:42]([CH:39]1[CH2:40][CH2:41]1)[CH:43]1[CH2:44][CH2:45]1)[cH:17]3)[n:23]([CH3:26])[cH:24][n:25]2)[CH2:27][c:28]1[c:29]([O:36][CH3:37])[cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 142844-(Dimethylamino)pyridineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 15475284N-CyclopropylcyclopropanamineHCID 581806154-(tert-Butoxycarbonyl(2,4-dimethoxybenzyl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxylic acid

Product 1

HCID 58180545Tert-butyl 7-(dicyclopropylcarbamoyl)-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-4-yl(2,4-dimethoxybenzyl)carbamate

Sources & evidence

ORD record
ord-ba825bcf37d543fc95c3775903252c7d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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