Water → HCID 178509545, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[CH2:10][O:9][C:8]([NH:12][CH:13]1[CH2:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]31)=[N:7]2.[C-:22]#[N:23].[O:25]=[CH:26][N:27]([CH3:28])[CH3:29].[OH2:24].[Pd:30].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1.[c:88]1([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103][cH:104][cH:105][cH:106]1>>[c:2]1([C:22]#[N:23])[cH:3][cH:4][cH:5][c:6]2[c:11]1[CH2:10][O:9][C:8]([NH:12][CH:13]1[CH2:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]31)=[N:7]2Participants
7
Sources & evidence
- ORD record
- ord-45118d4a3cec47eaa00acef15111f839
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…