Hydrochloric Acid → HCID 136336317, compound
Reaction equation
[Br:7][c:8]1[cH:9][c:10]([C:14]2=[N:15][C:16]([CH3:30])([CH3:31])[CH2:17][c:18]3[cH:19][c:20]([OH:29])[c:21]4[c:22]([c:23]32)[CH2:24][C:25]([CH3:27])([CH3:28])[O:26]4)[cH:11][cH:12][cH:13]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:50][CH2:51][OH:52].[ClH:41].[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:42].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1.[n:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1>>[c:8]1(-[c:35]2[cH:34][cH:33][n:32][cH:37][cH:36]2)[cH:9][c:10]([C:14]2=[N:15][C:16]([CH3:30])([CH3:31])[CH2:17][c:18]3[cH:19][c:20]([OH:29])[c:21]4[c:22]([c:23]32)[CH2:24][C:25]([CH3:27])([CH3:28])[O:26]4)[cH:11][cH:12][cH:13]1Participants
10
Sources & evidence
- ORD record
- ord-c12d85fc0e39437c9a4939cf96871690
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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