Nitrogen → HCID 69876291, compound
Reaction equation
[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[I:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[N:9]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:10][CH2:11][c:12]3[cH:13][c:14]([OH:18])[cH:15][cH:16][c:17]32)[cH:6][cH:7]1.[N:37]#[N:38].[NH2:32][C:33](=[O:34])[CH:35]=[CH2:36].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:44].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([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)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([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)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[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)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[c:2]1([CH:36]=[CH:35][C:33]([NH2:32])=[O:34])[cH:3][cH:4][c:5]([CH:8]2[N:9]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:10][CH2:11][c:12]3[cH:13][c:14]([OH:18])[cH:15][cH:16][c:17]32)[cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-81733702e140406188f40a0eb4edf59a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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