Hydrochloric Acid → {2-Amino-6-[2-(3-aminopyrrolidine-1-carbonyl)phenyl]quinazolin-4-yl}-(1,3-dihydroisoindol-2-yl)methanone

HRID 192505Notes

Reaction equation

HRID 192505 reaction equation
[ClH:88].[NH2:1][c:2]1[n:3][c:4]([C:5]([N:6]2[CH2:7][c:8]3[c:9]([cH:10][cH:11][cH:12][cH:13]3)[CH2:14]2)=[O:15])[c:16]2[c:17]([cH:18][cH:19][c:20](-[c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]3[C:27]([OH:28])=[O:29])[cH:30]2)[n:31]1.[NH2:45][c:46]1[n:47][c:48]2[cH:49][cH:50][c:51](-[c:67]3[c:68]([C:69](=[O:70])[N:71]4[CH2:72][CH:73]([NH:76][C:77](=[O:78])[O:79][C:80]([CH3:81])([CH3:82])[CH3:83])[CH2:74][CH2:75]4)[cH:84][cH:85][cH:86][cH:87]3)[cH:52][c:53]2[c:54]([C:56](=[O:57])[N:58]2[CH2:59][c:60]3[cH:61][cH:62][cH:63][cH:64][c:65]3[CH2:66]2)[n:55]1.[NH:32]1[CH2:33][CH2:34][CH:35]([NH:36][C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:44]1.[O:89]1[CH2:90][CH2:91][O:92][CH2:93][CH2:94]1>>[NH2:45][c:46]1[n:47][c:48]2[cH:49][cH:50][c:51](-[c:67]3[c:68]([C:69](=[O:70])[N:71]4[CH2:72][CH:73]([NH2:76])[CH2:74][CH2:75]4)[cH:84][cH:85][cH:86][cH:87]3)[cH:52][c:53]2[c:54]([C:56](=[O:57])[N:58]2[CH2:59][c:60]3[cH:61][cH:62][cH:63][cH:64][c:65]3[CH2:66]2)[n:55]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 2757234tert-butyl N-(pyrrolidin-3-yl)carbamateHCID 584571912-[2-Amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]benzoic acidHCID 67367412Tert-butyl (1-{2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]benzoyl}pyrrolidin-3-yl)carbamate

Product 1

HCID 46701229{2-Amino-6-[2-(3-aminopyrrolidine-1-carbonyl)phenyl]quinazolin-4-yl}-(1,3-dihydroisoindol-2-yl)methanone

Sources & evidence

ORD record
ord-10ea07ac9fd447ffb9b4a11731212548
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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