Toluene → HCID 57967263, compound

HRID 2310757Notes

Reaction equation

HRID 2310757 reaction equation
[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[N:11]=[C:12]=[S:13])[cH:6][cH:7]1.[NH2:14][c:15]1[cH:16][c:17]([F:50])[c:18]([O:19][c:20]2[c:21]3[c:22]([n:23][cH:24][cH:25]2)[cH:26][c:27](-[c:29]2[cH:30][cH:31][c:32]([CH2:35][N:36]([C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH2:44][CH2:45][O:46][CH3:47])[cH:33][n:34]2)[s:28]3)[cH:48][cH:49]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][C:12](=[S:13])[NH:14][c:15]2[cH:16][c:17]([F:50])[c:18]([O:19][c:20]3[c:21]4[c:22]([n:23][cH:24][cH:25]3)[cH:26][c:27](-[c:29]3[cH:30][cH:31][c:32]([CH2:35][N:36]([C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH2:44][CH2:45][O:46][CH3:47])[cH:33][n:34]3)[s:28]4)[cH:48][cH:49]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 231532482-(4-Fluorophenyl)acetyl isothiocyanateHCID 579194724-[[2-[5-[[Boc(2-methoxyethyl)amino]methyl]-2-pyridyl]-7-thieno[3,2-b]pyridyl]oxy]-3-fluoroaniline

Product 1

HCID 57967263HCID 57967263, compound

Sources & evidence

ORD record
ord-39bd2a62f9f34981b433d1428fb71aed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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