Hydrochloric Acid → N-(4-chlorophenyl)-N-ethyl-1-[3-[9-(2-hydroxypropan-2-yl)-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene]propyl]pyrrolidine-3-carboxamide

HRID 136678Notes

Reaction equation

HRID 136678 reaction equation
[Br:25][CH2:26][CH2:27][CH:28]=[C:29]1[c:30]2[c:31]([cH:40][cH:41][c:42]([C:44]([CH3:45])([CH3:46])[OH:47])[cH:43]2)[O:32][CH2:33][c:34]2[c:35]1[cH:36][cH:37][cH:38][n:39]2.[C:49](#[N:50])[CH3:51].[Cl:2][c:3]1[cH:4][cH:5][c:6]([N:9]([C:10](=[O:11])[CH:12]2[CH2:13][NH:14][CH2:15][CH2:16]2)[CH2:17][CH3:18])[cH:7][cH:8]1.[ClH:1].[K+:19].[K+:20].[O-:21][C:22]([O-:23])=[O:24].[OH2:48]>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([N:9]([C:10](=[O:11])[CH:12]2[CH2:13][N:14]([CH2:26][CH2:27][CH:28]=[C:29]3[c:30]4[c:31]([cH:40][cH:41][c:42]([C:44]([CH3:45])([CH3:46])[OH:47])[cH:43]4)[O:32][CH2:33][c:34]4[c:35]3[cH:36][cH:37][cH:38][n:39]4)[CH2:15][CH2:16]2)[CH2:17][CH3:18])[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 666859992-[5-(3-Bromo-propylidene)-5,1 1-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl]-propan-2-olHCID 66758293N-(4-chlorophenyl)-N-ethylpyrrolidine-3-carboxamide

Product 1

HCID 66759003N-(4-chlorophenyl)-N-ethyl-1-[3-[9-(2-hydroxypropan-2-yl)-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene]propyl]pyrrolidine-3-carboxamide

Sources & evidence

ORD record
ord-3015fe24094647a5b319fb0f40638e79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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