Ethyl 3-isocyanatobenzoate → HCID 69797945, compound

HRID 168517Notes

Reaction equation

HRID 168517 reaction equation
[C:1]12([O:11][CH2:12][c:13]3[n:14][n:15]([CH:21]4[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]4)[c:16]([O:19][CH3:20])[c:17]3[Br:18])[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[CH2:27]([Li:28])[CH2:29][CH2:30][CH3:31].[CH2:32]([CH3:33])[O:34][C:35](=[O:36])[c:37]1[cH:38][c:39]([N:43]=[C:44]=[O:45])[cH:40][cH:41][cH:42]1>>[C:1]12([O:11][CH2:12][c:13]3[n:14][n:15]([CH:21]4[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]4)[c:16]([O:19][CH3:20])[c:17]3[C:44]([NH:43][c:39]3[cH:38][c:37]([C:35]([O:34][CH2:32][CH3:33])=[O:36])[cH:42][cH:41][cH:40]3)=[O:45])[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2

Participants

4

Reactant 3

HCID 589806Ethyl 3-isocyanatobenzoateHCID 222919973-(adamantan-1-yloxymethyl)-4-bromo-1-cyclohexyl-5-methoxy-1H-pyrazoleHCID 178418339Butyllithium

Product 1

HCID 69797945HCID 69797945, compound

Sources & evidence

ORD record
ord-f82ee00215dd4cd2875aa3f3d8d69f90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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