Ammonium → HCID 72267079, compound

HRID 686459Notes

Reaction equation

HRID 686459 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([O:21][c:22]3[n:23][cH:24][cH:25][cH:26][cH:27]3)[cH:13][c:14]1[C:15]21[N:16]=[C:17]([NH2:20])[O:18][CH2:19]1.[CH2:49]([Cl:50])[Cl:51].[CH3:133][CH2:134][O:135][C:136](=[O:137])[CH3:138].[CH3:28][C:29]([C:30]#[CH:31])([CH3:32])[CH3:33].[CH3:47][OH:48].[CH:39]([NH:40][CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cu:54][I:55].[NH4+:52].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[OH-:53].[OH2:46].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[c:2]1([C:31]#[C:30][C:29]([CH3:28])([CH3:32])[CH3:33])[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([O:21][c:22]3[n:23][cH:24][cH:25][cH:26][cH:27]3)[cH:13][c:14]1[C:15]21[N:16]=[C:17]([NH2:20])[O:18][CH2:19]1

Participants

13

Reactant 12

HCID 223AmmoniumHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 7912DiisopropylamineHCID 8857Ethyl AcetateHCID 135123,3-Dimethyl-1-butyneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 178420554HCID 178420554, compoundHCID 178508234HCID 178508234, compound

Product 1

HCID 72267079HCID 72267079, compound

Sources & evidence

ORD record
ord-68b052adccaf4ed4818ef5f939734365
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…