Water → HCID 58505750, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[c:12]([CH2:29][C:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])([CH3:36])[CH3:37])[c:13]([C:23]([C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[c:14]3[cH:15][c:16]([CH:20]([CH3:21])[CH3:22])[cH:17][cH:18][n:19]23)[cH:6][cH:7]1.[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH3:38][O:39][c:40]1[n:41][cH:42][c:43]([B:46]([OH:47])[OH:48])[cH:44][cH:45]1.[OH2:49].[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:43]2[cH:42][n:41][c:40]([O:39][CH3:38])[cH:45][cH:44]2)[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[c:12]([CH2:29][C:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])([CH3:36])[CH3:37])[c:13]([C:23]([C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[c:14]3[cH:15][c:16]([CH:20]([CH3:21])[CH3:22])[cH:17][cH:18][n:19]23)[cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-f1bacff5a4754deb948dcc66673df444
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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