Acetic Acid → 8-chloro-6-(2-chlorophenyl)-1-ethyl-2H,4H-pyrrolo[3,4-d][2]benzazepine

HRID 98306Notes

Reaction equation

HRID 98306 reaction equation
[CH3:26][C:27](=[O:28])[OH:29].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[c:7](-[c:13]3[c:14]([C:20]#[N:21])[cH:15][nH:16][c:17]3[CH2:18][CH3:19])[cH:8][cH:9][c:10]([Cl:12])[cH:11]2)[cH:22][cH:23][cH:24][cH:25]1>>[Cl:1][c:2]1[c:3]([C:4]2=[N:21][CH2:20][c:14]3[c:13]([c:17]([CH2:18][CH3:19])[nH:16][cH:15]3)-[c:7]3[c:6]2[cH:11][c:10]([Cl:12])[cH:9][cH:8]3)[cH:22][cH:23][cH:24][cH:25]1

Participants

3

Reactant 2

HCID 176Acetic AcidHCID 132809324-[2-(2-chlorobenzoyl)-4-chlorophenyl]-5-ethyl-1H-pyrrole-3-carbonitrile

Product 1

HCID 132809348-chloro-6-(2-chlorophenyl)-1-ethyl-2H,4H-pyrrolo[3,4-d][2]benzazepine

Sources & evidence

ORD record
ord-5f8d4c311abe49a696fc4203d7eff8c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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