Dimethyl Sulfoxide → Ethyl 2-(4-(4-(tert-butoxycarbonylamino)phenylthio)-3-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)benzamido)-2-phenylpropanoate

HRID 308106Notes

Reaction equation

HRID 308106 reaction equation
[B-:39]([F:40])([F:41])([F:42])[F:43].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([S:15][c:16]2[c:17]([NH:25][c:26]3[c:27]4[c:28]([n:29][cH:30][n:31]3)[n:32][c:33]([CH:36]([CH3:37])[CH3:38])[cH:34][cH:35]4)[cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24]2)[cH:13][cH:14]1.[CH3:84][S:85]([CH3:86])=[O:87].[CH:75]([N:76]([CH2:77][CH3:78])[CH:79]([CH3:80])[CH3:81])([CH3:82])[CH3:83].[NH2:61][C:62]([C:63](=[O:64])[O:65][CH2:66][CH3:67])([CH3:68])[c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[OH2:88].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([S:15][c:16]2[c:17]([NH:25][c:26]3[c:27]4[c:28]([n:29][cH:30][n:31]3)[n:32][c:33]([CH:36]([CH3:37])[CH3:38])[cH:34][cH:35]4)[cH:18][c:19]([C:20](=[O:21])[NH:61][C:62]([C:63](=[O:64])[O:65][CH2:66][CH3:67])([CH3:68])[c:69]3[cH:70][cH:71][cH:72][cH:73][cH:74]3)[cH:23][cH:24]2)[cH:13][cH:14]1

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 3571202Ethyl 2-amino-2-phenylpropanoateHCID 593768924-(4-tert-Butoxycarbonylamino-phenylsulfanyl)-3-(7-isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-benzoic acid

Product 1

HCID 67040905Ethyl 2-(4-(4-(tert-butoxycarbonylamino)phenylthio)-3-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)benzamido)-2-phenylpropanoate

Sources & evidence

ORD record
ord-9167d36f22634e7a8f162642873fb189
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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