Phenyl isocyanate → HCID 68479493, compound

HRID 1204169Notes

Reaction equation

HRID 1204169 reaction equation
[CH2:24]([O:25][CH2:26][n:27]1[n:28][n:29][c:30](-[c:31]2[cH:32][c:33]([C:37]([NH:38][C:39]([CH3:40])([CH2:41][C:42]([N:43]3[CH2:44][CH2:45][C:46]([c:47]4[cH:48][cH:49][c:50]([Cl:51])[cH:52][cH:53]4)([OH:54])[C:55]([CH3:56])([CH3:57])[CH2:58]3)=[O:59])[CH3:60])=[O:61])[cH:34][cH:35][cH:36]2)[n:62]1)[c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[CH2:85]1[O:86][CH2:87][CH2:88][CH2:89]1.[CH3:69][CH2:70][N:71]([CH2:72][CH3:73])[CH2:74][CH3:75].[NH2:1][C:2]([CH2:3][C:4](=[O:5])[N:6]1[CH2:7][C:8]([CH3:20])([CH3:21])[C:9]([OH:12])([c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[CH2:10][CH2:11]1)([CH3:22])[CH3:23].[O:76]=[C:77]=[N:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[NH:1]([C:2]([CH2:3][C:4](=[O:5])[N:6]1[CH2:7][C:8]([CH3:20])([CH3:21])[C:9]([OH:12])([c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[CH2:10][CH2:11]1)([CH3:22])[CH3:23])[C:77](=[O:76])[NH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1

Participants

6

Reactant 5

HCID 7672Phenyl isocyanateHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 68481459HCID 68481459, compoundHCID 68483294HCID 68483294, compound

Product 1

HCID 68479493HCID 68479493, compound

Sources & evidence

ORD record
ord-af1fe20fd45643069ff3a7eb62f2ab5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…