Phenyl isocyanate → HCID 57593256, compound

HRID 1225242Notes

Reaction equation

HRID 1225242 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][O:50][CH2:51]1.[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[NH2:1][CH2:2][CH2:3][CH2:4][NH:5][c:6]1[n:7][c:8]([NH:13][c:14]2[cH:15][c:16]([NH:20][C:21](=[O:22])[N:23]3[CH2:24][CH2:25][CH2:26][CH2:27]3)[cH:17][cH:18][cH:19]2)[n:9][cH:10][c:11]1[Br:12].[O:37]=[C:38]=[N:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[NH:1]([CH2:2][CH2:3][CH2:4][NH:5][c:6]1[n:7][c:8]([NH:13][c:14]2[cH:15][c:16]([NH:20][C:21](=[O:22])[N:23]3[CH2:24][CH2:25][CH2:26][CH2:27]3)[cH:17][cH:18][cH:19]2)[n:9][cH:10][c:11]1[Br:12])[C:38](=[O:37])[NH:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1

Participants

5

Reactant 4

HCID 7672Phenyl isocyanateHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 57593297HCID 57593297, compound

Product 1

HCID 57593256HCID 57593256, compound

Sources & evidence

ORD record
ord-a0f4772d936b4c118259380728471316
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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