Butyl 4-isocyanatobenzoate → HCID 57559150, compound

HRID 668066Notes

Reaction equation

HRID 668066 reaction equation
[C:20](=[O:21])([O:22][CH2:23][CH2:24][CH2:25][CH3:26])[c:27]1[cH:28][cH:29][c:30]([N:33]=[C:34]=[O:35])[cH:31][cH:32]1.[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1=[CH:7][NH:8][CH2:9][CH2:10][c:11]2[c:12]1[nH:13][c:14]1[cH:15][cH:16][cH:17][cH:18][c:19]21>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1=[CH:7][N:8]([C:34]([NH:33][c:30]2[cH:29][cH:28][c:27]([C:20](=[O:21])[O:22][CH2:23][CH2:24][CH2:25][CH3:26])[cH:32][cH:31]2)=[O:35])[CH2:9][CH2:10][c:11]2[c:12]1[nH:13][c:14]1[cH:15][cH:16][cH:17][cH:18][c:19]21

Participants

3

Reactant 2

HCID 4112112Butyl 4-isocyanatobenzoateHCID 57467979Ethyl 1,2,3,6-tetrahydroazepino[4,5-B]indole-5-carboxylate

Product 1

HCID 57559150HCID 57559150, compound

Sources & evidence

ORD record
ord-72c09317c1a442878ae4b020a2b81df0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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