Benzene → HCID 53826166, compound

HRID 1205553Notes

Reaction equation

HRID 1205553 reaction equation
[C:1](#[N:2])[NH:3][C:4]([S:5][CH3:6])=[N:7][CH2:8][CH2:9][S:10][CH2:11][c:12]1[o:13][c:14]([CH2:17][N:18]([CH3:19])[CH3:20])[cH:15][cH:16]1.[CH2:21]([c:22]1[cH:23][c:24]2[c:28]([cH:29][cH:30]1)[O:27][CH2:26][O:25]2)[NH2:31].[cH:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[C:1](#[N:2])[NH:3][C:4]([NH:7][CH2:8][CH2:9][S:10][CH2:11][c:12]1[o:13][c:14]([CH2:17][N:18]([CH3:19])[CH3:20])[cH:15][cH:16]1)=[N:31][CH2:21][c:22]1[cH:23][c:24]2[c:28]([cH:29][cH:30]1)[O:27][CH2:26][O:25]2

Participants

4

Reactant 3

HCID 241BenzeneHCID 75799Benzo-1,3-dioxole-5-methylamineHCID 13486641N'-cyano-N-[2-[[5-[(dimethylamino)methyl]-2-furanylmethyl]thio]ethyl]carbamimidothioic acid, methyl ester

Product 1

HCID 53826166HCID 53826166, compound

Sources & evidence

ORD record
ord-23538c9465f741afad9847a96a8604bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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