Toluene → Bromide ion

HRID 190677Notes

Reaction equation

HRID 190677 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[c:16]1[cH:17][c:18]([O:21][CH2:22][CH:23]([O:24][c:25]2[n:26][o:27][c:28]([CH3:30])[cH:29]2)[CH2:31][O:32][C:33]([NH:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][Br:40])=[O:41])[n:19][o:20]1.[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[cH:42]1[cH:43][s:44][cH:45][n:46]1>>[Br-:40].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[c:16]1[cH:17][c:18]([O:21][CH2:22][CH:23]([O:24][c:25]2[n:26][o:27][c:28]([CH3:30])[cH:29]2)[CH2:31][O:32][C:33]([NH:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][c:45]2[s:44][cH:43][cH:42][nH+:46]2)=[O:41])[n:19][o:20]1

Participants

5

Reactant 3

HCID 1140TolueneHCID 9256ThiazoleHCID 19986061HCID 19986061, compound

Product 2

HCID 259Bromide ionHCID 178442841HCID 178442841, compound

Sources & evidence

ORD record
ord-22e908aecf984affafc39177f0d63907
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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