Hydrochloric Acid → Hydrochloric Acid

HRID 145950Notes

Reaction equation

HRID 145950 reaction equation
[CH2:31]([CH3:32])[O:33][c:34]1[c:35]([N:40]=[C:41]=[O:42])[cH:36][cH:37][cH:38][cH:39]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[ClH:1].[ClH:2].[NH2:3][c:4]1[cH:5][c:6]2[c:7]([cH:8][c:9]([C:11](=[O:12])[NH:13][CH:14]3[CH2:15][N:16]4[CH2:17][CH2:18][CH:19]3[CH2:20][CH2:21]4)[s:10]2)[cH:22][cH:23]1>>[ClH:1].[NH:3]([c:4]1[cH:5][c:6]2[c:7]([cH:8][c:9]([C:11](=[O:12])[NH:13][CH:14]3[CH2:15][N:16]4[CH2:17][CH2:18][CH:19]3[CH2:20][CH2:21]4)[s:10]2)[cH:22][cH:23]1)[C:41]([NH:40][c:35]1[c:34]([O:33][CH2:31][CH3:32])[cH:39][cH:38][cH:37][cH:36]1)=[O:42]

Participants

7

Reactant 5

HCID 313Hydrochloric Acid2×HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 79374Benzene, 1-ethoxy-2-isocyanato-HCID 772151126-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-2-carboxamide

Product 2

HCID 313Hydrochloric AcidHCID 77215158N-(1-azabicyclo[2.2.2]octan-3-yl)-6-[(2-ethoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide

Sources & evidence

ORD record
ord-9f82c7e093b04dbeb28fa633a33f5470
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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