Hydrochloric Acid → 4-Amino-N-cyclopropyl-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7,8-dihydro-2H-6-thia-1,2,3,5-tetraazaacenaphthylene-7-carboxamide

HRID 198191Notes

Reaction equation

HRID 198191 reaction equation
[CH3:83][N:84]([CH3:85])[CH2:86][CH2:87][CH2:88][N:89]=[C:90]=[N:91][CH2:92][CH3:93].[CH3:94][N:95]([CH3:96])[CH:97]=[O:98].[CH:67]1([NH2:70])[CH2:68][CH2:69]1.[Cl:28][c:29]1[n:30][c:31]([N:32]([C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[n:47][c:48]2[n:49]([CH2:50][c:51]3[c:52]([CH3:53])[c:54]([O:55][CH3:56])[c:57]([CH3:58])[cH:59][n:60]3)[n:61][c:62]([CH2:63][CH2:64][OH:65])[c:66]12.[ClH:82].[NH2:1][c:2]1[n:3][c:4]2[n:5]([CH2:17][c:18]3[n:19][cH:20][c:21]([CH3:27])[c:22]([O:25][CH3:26])[c:23]3[CH3:24])[n:6][c:7]3[c:13]2[c:11]([n:12]1)[S:10][CH:9]([C:14](=[O:15])[OH:16])[CH2:8]3.[OH2:71].[OH:72][n:73]1[c:74]2[cH:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]1>>[NH2:1][c:2]1[n:3][c:4]2[n:5]([CH2:17][c:18]3[n:19][cH:20][c:21]([CH3:27])[c:22]([O:25][CH3:26])[c:23]3[CH3:24])[n:6][c:7]3[c:13]2[c:11]([n:12]1)[S:10][CH:9]([C:14](=[O:15])[NH:70][CH:67]1[CH2:68][CH2:69]1)[CH2:8]3

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 69828CyclopropylamineHCID 757711-HydroxybenzotriazoleHCID 444763184-amino-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7,8-dihydro-2H-6-thia-1,2,3,5-tetraazaacenaphthylene-7-carboxylic acidHCID 59311523di-tert-butyl{4-chloro-3-(2-hydroxyethyl)-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}imidodicarbonate

Product 1

HCID 593115664-Amino-N-cyclopropyl-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7,8-dihydro-2H-6-thia-1,2,3,5-tetraazaacenaphthylene-7-carboxamide

Sources & evidence

ORD record
ord-557d50f2c8744a4485a750c04f2b0ee3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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