Ethanol → HCID 57929475, compound
Reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][CH2:48][OH:49].[Cs+:33].[Cs+:34].[NH2:1][c:2]1[c:3]([Br:19])[c:4](=[O:18])[n:5]([CH:14]2[CH2:15][CH2:16][CH2:17]2)[c:6]2[n:7][c:8]([S:12][CH3:13])[n:9][cH:10][c:11]12.[Na+:39].[O-:35][C:36]([OH:37])=[O:38].[OH:20][B:21]([OH:22])[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[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>>[NH2:1][c:2]1[c:3](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:4](=[O:18])[n:5]([CH:14]2[CH2:15][CH2:16][CH2:17]2)[c:6]2[n:7][c:8]([S:12][CH3:13])[n:9][cH:10][c:11]12Participants
10
Sources & evidence
- ORD record
- ord-5013287554db47d09430949d4376c259
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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