Toluene → HCID 45111625, compound

HRID 1218290Notes

Reaction equation

HRID 1218290 reaction equation
[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH:25]1([N:31]=[C:32]=[O:33])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[cH:11][c:12]([F:24])[cH:13][cH:14][c:15]3[c:16]2[NH:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[cH:11][c:12]([F:24])[cH:13][cH:14][c:15]3[c:16]2[N:17]([CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[C:32]([NH:31][CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)=[O:33])[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 18502Cyclohexyl isocyanateHCID 66905291HCID 66905291, compound

Product 1

HCID 45111625HCID 45111625, compound

Sources & evidence

ORD record
ord-2e700bb1c484429092c9d9577c298532
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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