Dimethyl Sulfoxide → Tert-butyl 4-(4-(1-(di-tert-butoxyphosphoryloxy)-2-phenylpropan-2-ylcarbamoyl)-2-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)phenylthio)phenylcarbamate

HRID 174549Notes

Reaction equation

HRID 174549 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.[CH3:93][S:94]([CH3:95])=[O:96].[CH:84]([N:85]([CH2:86][CH3:87])[CH:88]([CH3:89])[CH3:90])([CH3:91])[CH3:92].[OH2:97].[P:61](=[O:62])([O:63][CH2:64][C:65]([CH3:66])([c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[NH2:73])([O:74][C:75]([CH3:76])([CH3:77])[CH3:78])[O:79][C:80]([CH3:81])([CH3:82])[CH3:83].[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:73][C:65]([CH2:64][O:63][P:61](=[O:62])([O:74][C:75]([CH3:76])([CH3:77])[CH3:78])[O:79][C:80]([CH3:81])([CH3:82])[CH3:83])([CH3:66])[c:67]3[cH:68][cH:69][cH:70][cH:71][cH:72]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 593768924-(4-tert-Butoxycarbonylamino-phenylsulfanyl)-3-(7-isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-benzoic acidHCID 670410332-Amino-2-phenylpropyl di-tert-butyl phosphate

Product 1

HCID 67040563Tert-butyl 4-(4-(1-(di-tert-butoxyphosphoryloxy)-2-phenylpropan-2-ylcarbamoyl)-2-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)phenylthio)phenylcarbamate

Sources & evidence

ORD record
ord-8c30a726bbaf4a4cbe766f390275530d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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