Toluene → HCID 86643503, compound

HRID 1200685Notes

Reaction equation

HRID 1200685 reaction equation
[C:23]([CH2:24][C:25](=[O:26])[CH3:27])(=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Cl:1][c:2]1[c:3]([NH2:22])[cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[c:12]3[c:13]([cH:18][cH:19][cH:20][cH:21]3)[CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[c:3]([NH:22][C:23]([CH2:24][C:25](=[O:26])[CH3:27])=[O:28])[cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[c:12]3[c:13]([cH:18][cH:19][cH:20][cH:21]3)[CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 15538Tert-butyl acetoacetateHCID 231203012-Chloro-5-(2,3,4,5-tetrahydro-benzo[b]azepine-1-sulfonyl)-phenylamine

Product 1

HCID 86643503HCID 86643503, compound

Sources & evidence

ORD record
ord-2ef3bda4388e493591cbba6986065740
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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