Phenyl isocyanate → HCID 66914125, compound

HRID 1537023Notes

Reaction equation

HRID 1537023 reaction equation
[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:22](=[O:23])[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:10][n:11][c:12]3[c:13]([C:18]([F:19])([F:20])[F:21])[cH:14][cH:15][cH:16][c:17]23)[cH:6][cH:7]1.[O:30]=[C:31]=[N:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:22](=[O:23])[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:10][n:11][c:12]3[c:13]([C:18]([F:19])([F:20])[F:21])[cH:14][cH:15][cH:16][c:17]23)[cH:6][cH:7]1)[C:31](=[O:30])[NH:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1

Participants

4

Reactant 3

HCID 7672Phenyl isocyanateHCID 8471TriethylamineHCID 66913541HCID 66913541, compound

Product 1

HCID 66914125HCID 66914125, compound

Sources & evidence

ORD record
ord-28b5a752bf8c47e497307c32d15f41d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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