3-Methoxy-7-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylamine → 2-[5-Chloro-2-(2-methoxy-7-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzocyclohepten-1-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide

HRID 193670Notes

Reaction equation

HRID 193670 reaction equation
[CH3:39][O:40][c:41]1[c:42]([NH2:43])[cH:44][c:45]2[c:57]([cH:58]1)[CH2:56][CH2:55][CH:48]([N:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1)[CH2:47][CH2:46]2.[CH3:59][O:60][c:61]1[cH:62][cH:63][c:64]2[c:65]([c:77]1[NH2:78])[CH2:66][CH2:67][CH:68]([N:71]1[CH2:72][CH2:73][O:74][CH2:75][CH2:76]1)[CH2:69][CH2:70]2.[Cl:1][c:2]1[n:3][c:4]([NH:5][CH:6]2[CH:7]3[CH2:8][CH:9]([CH:10]=[CH:11]3)[CH:12]2[C:13]([NH2:14])=[O:15])[c:16]([Cl:17])[cH:18][n:19]1.[Cl:20][c:21]1[n:22][cH:23][c:24]([Cl:38])[c:25]([NH:27][c:28]2[c:29]([C:30](=[O:31])[NH:32][CH3:33])[cH:34][cH:35][cH:36][cH:37]2)[n:26]1>>[c:21]1([NH:78][c:77]2[c:61]([O:60][CH3:59])[cH:62][cH:63][c:64]3[c:65]2[CH2:66][CH2:67][CH:68]([N:71]2[CH2:72][CH2:73][O:74][CH2:75][CH2:76]2)[CH2:69][CH2:70]3)[n:22][cH:23][c:24]([Cl:38])[c:25]([NH:27][c:28]2[c:29]([C:30](=[O:31])[NH:32][CH3:33])[cH:34][cH:35][cH:36][cH:37]2)[n:26]1

Participants

5

Reactant 4

HCID 575226243-Methoxy-7-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylamineHCID 579741322-(2,5-Dichloropyrimidin-4-ylamino)-N-methylbenzamideHCID 672640572-Methoxy-7-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzocyclohepten-1-ylamineHCID 764469493-(2,5-Dichloro-pyrimidin-4-ylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide

Product 1

HCID 251590062-[5-Chloro-2-(2-methoxy-7-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzocyclohepten-1-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide

Sources & evidence

ORD record
ord-7bffe0922ccc40f1bb66e847f755bd3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…