Dichloromethane → Tert-butyl 4-(4-(4-(2-(2-(tert-butoxycarbonylamino)acetamido)acetamido)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoate

HRID 149892Notes

Reaction equation

HRID 149892 reaction equation
[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41](=[O:42])[NH:43][CH2:44][C:45](=[O:46])[NH:47][CH2:48][C:49](=[O:50])[OH:51].[CH:76]([N:77]([CH2:78][CH3:79])[CH:80]([CH3:81])[CH3:82])([CH3:83])[CH3:84].[Cl:85][CH2:86][Cl:87].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][c:8]2[n:9][c:10]([NH:20][c:21]3[cH:22][cH:23][c:24]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[cH:32][cH:33]3)[n:11][c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[n:13]2)[cH:34][cH:35]1.[P-:52]([F:53])([F:54])([F:55])([F:56])([F:57])[F:58].[n:59]1([O:60][C:61]([N:62]([CH3:63])[CH3:64])=[N+:65]([CH3:66])[CH3:67])[c:68]2[n:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][c:8]2[n:9][c:10]([NH:20][c:21]3[cH:22][cH:23][c:24]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[cH:32][cH:33]3)[n:11][c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[n:13]2)[cH:34][cH:35]1)[C:49]([CH2:48][NH:47][C:45]([CH2:44][NH:43][C:41]([O:40][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:42])=[O:46])=[O:50]

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 3334662-(2-{[(Tert-butoxy)carbonyl]amino}acetamido)acetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67073921Tert-butyl 4-(4-(4-aminobenzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoate

Product 1

HCID 67074084Tert-butyl 4-(4-(4-(2-(2-(tert-butoxycarbonylamino)acetamido)acetamido)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoate

Sources & evidence

ORD record
ord-6c8ceb8a3322488ca77c73fb041a8036
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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