Toluene → HCID 67203014, compound

HRID 106682Notes

Reaction equation

HRID 106682 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:28]#[N:29])[cH:11][c:12]2[c:13]([O:19][c:20]3[cH:21][c:22]([F:27])[c:23]([NH2:26])[cH:24][cH:25]3)[cH:14][cH:15][n:16][c:17]2[cH:18]1.[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:46][C:47]#[N:48].[O:37]=[C:38]=[N:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:28]#[N:29])[cH:11][c:12]2[c:13]([O:19][c:20]3[cH:21][c:22]([F:27])[c:23]([NH:26][C:38](=[O:37])[NH:39][c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[cH:24][cH:25]3)[cH:14][cH:15][n:16][c:17]2[cH:18]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6342AcetonitrileHCID 7672Phenyl isocyanateHCID 22936431HCID 22936431, compound

Product 1

HCID 67203014HCID 67203014, compound

Sources & evidence

ORD record
ord-ba57df54b82e4606b706fb88ba678415
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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