Ethanol → HCID 57585089, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([S:9][CH3:10])[s:8]2)[cH:11][cH:12]1.[CH3:47][CH2:48][OH:49].[Cl:13][c:14]1[n:15][cH:16][c:17]([B:32]2[CH2:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[CH2:40]2)[cH:18][c:19]1[NH:20][S:21](=[O:22])(=[O:23])[c:24]1[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]1.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([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)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([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)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([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)[cH:125][cH:126]1>>[c:2]1(-[c:17]2[cH:16][n:15][c:14]([Cl:13])[c:19]([NH:20][S:21](=[O:22])(=[O:23])[c:24]3[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]3)[cH:18]2)[cH:3][c:4]2[c:5]([n:6][c:7]([S:9][CH3:10])[s:8]2)[cH:11][cH:12]1Participants
7
Sources & evidence
- ORD record
- ord-af99ba9f1abe464f85ecbaae2891a2c1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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