Acetate → HCID 135474506, compound

HRID 1550282Notes

Reaction equation

HRID 1550282 reaction equation
[Br:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([nH:7]2)[c:8](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:9]2[cH:10][cH:11][c:12]([cH:13][c:14]3[cH:15][cH:16][c:17]([c:18](-[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:19]4[cH:20][cH:21][c:22]1[n:23]4)[nH:30]3)[n:31]2.[C:101]([O-:102])(=[O:103])[CH3:104].[C:85](=[O:86])([O-:87])[O-:88].[C:96]([O-:97])(=[O:98])[CH3:99].[CH2:91]1[O:92][CH2:93][CH2:94][CH2:95]1.[CH3:105][CH2:106][O:107][C:108](=[O:109])[CH3:110].[Cs+:89].[Cs+:90].[NH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[PH3:84].[Pd+2:100].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[O:59][c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]2[P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]1>>[c:2]1([NH:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:3]2[cH:4][cH:5][c:6]([nH:7]2)[c:8](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:9]2[cH:10][cH:11][c:12]([cH:13][c:14]3[cH:15][cH:16][c:17]([c:18](-[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:19]4[cH:20][cH:21][c:22]1[n:23]4)[nH:30]3)[n:31]2

Participants

11

Reactant 10

HCID 175Acetate2×HCID 6115AnilineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 24404PhosphineHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 4285986Bis[2-(diphenylphosphino)phenyl] etherHCID 173154257HCID 173154257, compound

Product 1

HCID 135474506HCID 135474506, compound

Sources & evidence

ORD record
ord-1318ad47725c4d0db6425f5672234204
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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