Water → HCID 68736154, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][cH:17][n:18][c:19]2[Cl:20])[CH2:12][CH2:13]1.[C:21](#[N:22])[c:23]1[cH:24][cH:25][c:26]([B:29]([OH:30])[OH:31])[cH:27][cH:28]1.[CH3:32][N:33]([CH3:34])[C:35](=[O:36])[CH3:37].[OH2:38].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([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)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([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)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([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)[cH:114][cH:115]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][cH:17][n:18][c:19]2-[c:26]2[cH:25][cH:24][c:23]([C:21]#[N:22])[cH:28][cH:27]2)[CH2:12][CH2:13]1Participants
6
Sources & evidence
- ORD record
- ord-cd60f0f316714e90b43a2c089c2ad1bb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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