Hexane → HCID 15137698, compound

HRID 1149242Notes

Reaction equation

HRID 1149242 reaction equation
[CH2:12]([CH2:13][CH2:14][CH3:15])[c:16]1[cH:17][cH:18][c:19]([CH2:22][NH:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][OH:30])[cH:20][cH:21]1.[CH3:1][c:2]1[c:3]([N:9]=[C:10]=[O:11])[cH:4][cH:5][c:6]([CH3:8])[cH:7]1.[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36]>>[CH3:1][c:2]1[c:3]([NH:9][C:10](=[O:11])[N:23]([CH2:22][c:19]2[cH:18][cH:17][c:16]([CH2:12][CH2:13][CH2:14][CH3:15])[cH:21][cH:20]2)[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][OH:30])[cH:4][cH:5][c:6]([CH3:8])[cH:7]1

Participants

4

Reactant 3

HCID 8058HexaneHCID 52075851-isocyanato-2,4-dimethylbenzeneHCID 15137694HCID 15137694, compound

Product 1

HCID 15137698HCID 15137698, compound

Sources & evidence

ORD record
ord-4d5690cef64749ad9db467729cb05347
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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