Toluene → HCID 15020189, compound

Reaction equation

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

Participants

Reactant 3

HCID 1140Toluene

HCID 853464-Octylaniline

HCID 6045371,3-Dichloro-2-isocyanatobenzene

Product 1

HCID 15020189HCID 15020189, compound

Sources & evidence

ORD record: ord-851f3d3b52fb4cc09c264a4ab07e955a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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