Phenyl isocyanate → HCID 59224382, compound

HRID 1560310Notes

Reaction equation

HRID 1560310 reaction equation
[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[F:1][c:2]1[cH:3][cH:4][c:5]([CH3:32])[c:6]([O:7][CH2:8][c:9]2[c:10]3[c:15]([cH:16][cH:17][c:18]2-[c:19]2[c:20]([O:26][CH3:27])[cH:21][c:22]([OH:25])[cH:23][cH:24]2)[NH:14][C:13]([CH3:28])([CH3:29])[CH:12]=[C:11]3[CH3:30])[cH:31]1.[O:40]=[C:41]=[N:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH3:32])[c:6]([O:7][CH2:8][c:9]2[c:10]3[c:15]([cH:16][cH:17][c:18]2-[c:19]2[c:20]([O:26][CH3:27])[cH:21][c:22]([O:25][C:41](=[O:40])[NH:42][c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[cH:23][cH:24]2)[NH:14][C:13]([CH3:28])([CH3:29])[CH:12]=[C:11]3[CH3:30])[cH:31]1

Participants

5

Reactant 4

HCID 7672Phenyl isocyanateHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 16660652HCID 16660652, compound

Product 1

HCID 59224382HCID 59224382, compound

Sources & evidence

ORD record
ord-c02625b272e947b392b32389e9f030e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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