Ethanol → HCID 140043499, compound
Reaction equation
[Br:6][c:7]1[c:8]([Cl:13])[n:9][cH:10][cH:11][cH:12]1.[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26]([NH:27][C:28](=[NH:29])[c:30]1[s:31][c:32]([S:45][CH3:46])[c:33]([S:35](=[O:36])(=[O:37])[c:38]2[cH:39][c:40]([Br:44])[cH:41][cH:42][cH:43]2)[cH:34]1)=[O:47].[C:48](=[O:49])([O-:50])[O-:51].[CH3:136][c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1.[CH3:143][CH2:144][OH:145].[CH3:14][O:15][B:16]([O:17][CH3:18])[O:19][CH3:20].[CH3:54][CH2:55][O:56][CH2:57][CH3:58].[Li:1][CH2:2][CH2:3][CH2:4][CH3:5].[Na+:52].[Na+:53].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([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)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([P:84]([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)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[P:103]([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)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[c:7]1(-[c:40]2[cH:39][c:38]([S:35]([c:33]3[c:32]([S:45][CH3:46])[s:31][c:30]([C:28]([NH:27][C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:47])=[NH:29])[cH:34]3)(=[O:36])=[O:37])[cH:43][cH:42][cH:41]2)[c:8]([Cl:13])[n:9][cH:10][cH:11][cH:12]1Participants
11
Reactant 10
HCID 702Ethanol
HCID 923Sodium ion2×
HCID 1140Toluene
HCID 3283Diethyl Ether
HCID 8470Trimethyl borate
HCID 19660Carbonate Ion
HCID 6933243-Bromo-2-chloropyridine
HCID 145857672tert-butyl N-[4-(3-bromophenyl)sulfonyl-5-methylsulfanylthiophene-2-carboximidoyl]carbamate
HCID 178418339Butyllithium
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-186f4322e54c4dee9067b30bb9a63428
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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