Water → 6-(2-tert-Butoxycarbonylamino-pyrimidin-4-yloxy)-benzo[d]isoxazole-3-carboxylic acid ethyl ester

HRID 1554800Notes

Reaction equation

HRID 1554800 reaction equation
[C:23](=[O:24])([O-:25])[O-:26].[C:71]([CH3:72])([CH3:73])([CH3:74])[O:75][C:76]([NH2:77])=[O:78].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][o:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:15][c:16]1[n:17][c:18]([Cl:22])[n:19][cH:20][cH:21]1)[cH:14]2.[CH3:86][CH2:87][O:88][C:89]([CH3:90])=[O:91].[Cs+:27].[Cs+:28].[O:79]1[CH2:80][CH2:81][O:82][CH2:83][CH2:84]1.[OH2:85].[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[c:38]3[c:62]([cH:63][cH:64][cH:65]2)[C:59]([CH3:60])([CH3:61])[c:41]2[c:40]([c:45]([P:46]([c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)[c:53]4[cH:54][cH:55][cH:56][cH:57][cH:58]4)[cH:44][cH:43][cH:42]2)[O:39]3)[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][o:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:15][c:16]1[n:17][c:18]([NH:77][C:76]([O:75][C:71]([CH3:72])([CH3:73])[CH3:74])=[O:78])[n:19][cH:20][cH:21]1)[cH:14]2

Participants

9

Reactant 8

HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 77922tert-Butyl carbamateHCID 104967Cesium cation2×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 866266246-(2-Chloro-pyrimidin-4-yloxy)-benzo[d]isoxazole-3-carboxylic acid ethyl ester

Product 1

HCID 669929556-(2-tert-Butoxycarbonylamino-pyrimidin-4-yloxy)-benzo[d]isoxazole-3-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-93ae128af41f402986024cd130935962
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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