Phenyl isocyanate → HCID 178521960, compound

HRID 674806Notes

Reaction equation

HRID 674806 reaction equation
[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[O:29]=[C:30]=[N:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[nH:1]1[cH:2][cH:3][c:4]2[c:5]1[n:6][cH:7][cH:8][c:9]2-[c:10]1[c:11](-[c:15]2[cH:16][cH:17][c:18]([NH2:19])[cH:20][cH:21]2)[n:12][nH:13][cH:14]1>>[nH:1]1[cH:2][cH:3][c:4]2[c:5]1[n:6][cH:7][cH:8][c:9]2-[c:10]1[c:11](-[c:15]2[cH:16][cH:17][c:18]([NH:19][C:30](=[O:29])[NH:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:20][cH:21]2)[n:12][nH:13][cH:14]1

Participants

5

Reactant 4

HCID 7672Phenyl isocyanateHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 178507468HCID 178507468, compound

Product 1

HCID 178521960HCID 178521960, compound

Sources & evidence

ORD record
ord-83f1afb8c0fe429aa1fbd6d0b514e67b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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