Hexane → HCID 15137698, compound

HRID 286504Notes

Reaction equation

HRID 286504 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][NH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][OH:19])[cH:9][cH:10]1.[CH3:20][c:21]1[c:22]([N:28]=[C:29]=[O:30])[cH:23][cH:24][c:25]([CH3:27])[cH:26]1.[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][N:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][OH:19])[C:29]([NH:28][c:22]2[c:21]([CH3:20])[cH:26][c:25]([CH3:27])[cH:24][cH:23]2)=[O:30])[cH:9][cH:10]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-e771d71d4d814f21b1a8e31f34773224
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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