Bromide ion → HCID 22143516, compound
Reaction equation
[Br-:35].[C:24](=[O:25])([OH:26])[O-:27].[CH2:36]([N+:37]([CH2:38][CH3:39])([CH2:40][CH3:41])[CH2:42][CH3:43])[c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl:14][CH2:15][CH2:16][N:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1.[ClH:13].[Mg+2:29].[Na+:23].[Na+:28].[O-:30][S:31](=[O:32])(=[O:33])[O-:34].[OH-:22].[OH:1][CH2:2][c:3]1[cH:4][c:5]2[n:6][cH:7][cH:8][c:9]([Cl:12])[c:10]2[s:11]1>>[O:1]([CH2:2][c:3]1[cH:4][c:5]2[n:6][cH:7][cH:8][c:9]([Cl:12])[c:10]2[s:11]1)[CH2:15][CH2:16][N:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1Participants
13
Reactant 12
HCID 259Bromide ion
HCID 313Hydrochloric Acid
HCID 769Bicarbonate Ion
HCID 888Magnesium Cation
HCID 923Sodium ion2×
HCID 961Hydroxide
HCID 1117Sulfate Ion
HCID 1140Toluene
HCID 8857Ethyl Acetate
HCID 17208Benzyltriethylammonium
HCID 816691-(2-Chloroethyl)pyrrolidine
HCID 22143534(7-Chlorothieno[3,2-b]pyridin-2-yl)methanolProduct 1
Sources & evidence
- ORD record
- ord-a1276183f70b4bc1808090f062405c82
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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